Murcko scaffold
Ring system with 4 rings and 27 atoms
147 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 27
- Chemicals
- 147
- With full pages
- 10
Scaffold SMILES
O=c1[nH]c(=O)c2c(nc(NN=Cc3ccccc3)n2Cc2ccccc2)[nH]1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold O=c1[nH]c(=O)c2c(nc(NN=Cc3ccccc3)n2Cc2ccccc2)[nH]1](/scaffold/USQJTIDFTDVQBL-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 48 of 147 chemicals
7-(4-Fluorobenzyl)-8-(2-(4-hydroxybenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 377060-40-7C21H19FN6O3
![7-[(4-Fluorophenyl)methyl]-8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H21FN6O3](/s/SNVRDSXVERPRIT-UHFFFAOYSA-N.svg)
7-[(4-Fluorophenyl)methyl]-8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C22H21FN6O3
7-(3-Bromobenzyl)-3-methyl-8-(2-(1-phenylethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
C21H19BrN6O2
![7-[(4-Fluorophenyl)methyl]-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19FN6O3, CAS 377051-11-1](/s/OUOHZOLDXIOCFG-UHFFFAOYSA-N.svg)
7-[(4-Fluorophenyl)methyl]-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CAS 377051-11-1C21H19FN6O3
2-Chlorobenzaldehyde (7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone
CAS 374102-76-8C21H19ClN6O2
![7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione chemical structure, C22H20ClN7O4, CAS 372496-18-9](/s/SGNDWQCCNURSKJ-MXAYSNPKSA-N.svg)
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
CAS 372496-18-9C22H20ClN7O4
![7-Benzyl-1,3-dimethyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione chemical structure, C21H19N7O4, CAS 374697-44-6](/s/ZVRVIEIEOMBSFD-UUYOSTAYSA-N.svg)
7-Benzyl-1,3-dimethyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CAS 374697-44-6C21H19N7O4
![7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione chemical structure, C21H18ClN7O4](/s/TYYCVDUYJIZMSO-KSEXSDGBSA-N.svg)
7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
C21H18ClN7O4
![7-Benzyl-8-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H20N6O2](/s/UPUCAESXQPXCKD-XKZIYDEJSA-N.svg)
7-Benzyl-8-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpurine-2,6-dione
C21H20N6O2
![7-Benzyl-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19ClN6O2](/s/KAEWQFRCORDYGU-FMCGGJTJSA-N.svg)
7-Benzyl-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C21H19ClN6O2
![7-Benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H22N6O3](/s/CDWNIZAKPKFQGO-QRVIBDJDSA-N.svg)
7-Benzyl-8-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C22H22N6O3
![7-Benzyl-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24N6O3](/s/HEQJTIYNLQXLNO-MFKUBSTISA-N.svg)
7-Benzyl-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
C23H24N6O3
![7-[(2-Chlorophenyl)methyl]-8-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C23H23ClN6O3, CAS 374096-01-2](/s/LOFOBVJIQOOKPY-WGARJPEWSA-N.svg)
7-[(2-Chlorophenyl)methyl]-8-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CAS 374096-01-2C23H23ClN6O3
![8-[(2E)-2-(4-Methoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24N6O3, CAS 375831-28-0](/s/YAUKQBTUZFRWLF-ZMOGYAJESA-N.svg)
8-[(2E)-2-(4-Methoxybenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 375831-28-0C23H24N6O3
![7-Benzyl-8-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19ClN6O2](/s/ZVADSUILRWKECD-FMCGGJTJSA-N.svg)
7-Benzyl-8-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C21H19ClN6O2
(E)-8-(2-(4-Methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 303970-07-2C22H22N6O3
![7-[(2-Chlorophenyl)methyl]-8-[(Z)-2-[(4-chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H18Cl2N6O2](/s/WOGBHHBRXFTZJM-MYKKPKGFSA-N.svg)
7-[(2-Chlorophenyl)methyl]-8-[(Z)-2-[(4-chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C21H18Cl2N6O2
(E)-8-(2-(4-(Dimethylamino)benzylidene)hydrazinyl)-1,3-dimethyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 376369-64-1C24H27N7O2
![7-[(2-Chlorophenyl)methyl]-8-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H18ClFN6O2](/s/VJUNVWXYQWFWCK-MYKKPKGFSA-N.svg)
7-[(2-Chlorophenyl)methyl]-8-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C21H18ClFN6O2
![7-[(2-Chlorophenyl)methyl]-8-[(Z)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H18Cl2N6O2](/s/JTVOZDQLMOLIFT-MYKKPKGFSA-N.svg)
7-[(2-Chlorophenyl)methyl]-8-[(Z)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
C21H18Cl2N6O2
![7-Benzyl-8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C21H19BrN6O2](/s/FOTILERLLQFSHM-FMCGGJTJSA-N.svg)
7-Benzyl-8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
C21H19BrN6O2
![7-Benzyl-8-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione chemical structure, C23H24N6O3, CAS 374542-16-2](/s/HEQJTIYNLQXLNO-MYYYXRDXSA-N.svg)
7-Benzyl-8-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CAS 374542-16-2C23H24N6O3
![7-Benzyl-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione chemical structure, C22H22N6O2, CAS 1321753-76-7](/s/JWVFJCNGEMFRIN-BUVRLJJBSA-N.svg)
7-Benzyl-1,3-dimethyl-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione
CAS 1321753-76-7C22H22N6O2
![7-Benzyl-8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H20N6O2, CAS 374601-21-5](/s/UPUCAESXQPXCKD-LPYMAVHISA-N.svg)
7-Benzyl-8-[(2E)-2-benzylidenehydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 374601-21-5C21H20N6O2
- 3-Nitrobenzaldehyde (7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone331235-44-0C20H17N7O4
- 4-Methoxybenzaldehyde (7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone1321733-09-8C21H20N6O3
- 7-(2-Chlorobenzyl)-8-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione303973-77-5C21H19ClN6O3
- 7-Benzyl-1,3-dimethyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione377048-62-9C22H22N6O2
- 7-(2-Chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione377061-42-2C21H18ClN7O4
- 3-Nitrobenzaldehyde (7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazoneC21H19N7O4
- 3-Nitrobenzaldehyde [7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone374544-61-3C21H18ClN7O4
- (E)-7-Benzyl-8-(2-(3,4-dimethoxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione303969-91-7C22H22N6O4
- (E)-8-(2-(4-Bromobenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione536718-98-6C21H19BrN6O2
- (E)-8-(2-Benzylidenehydrazinyl)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione685106-28-9C21H19BrN6O2
- 4-Chlorobenzaldehyde [7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone682775-78-6C21H18ClFN6O2
- (E)-7-(4-Fluorobenzyl)-8-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione892619-75-9C21H19FN6O3
- 8-[(2E)-2-(4-Ethoxybenzylidene)hydrazinyl]-7-(4-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione892615-44-0C22H21FN6O3
- (E)-8-(2-(5-Bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione536718-89-5C22H21BrN6O3
- 8-[(2E)-2-(2-Chlorobenzylidene)hydrazinyl]-7-(4-fluorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione892614-70-9C20H16ClFN6O2
- (E)-8-(2-Benzylidenehydrazinyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione303970-18-5C21H20N6O2
- 7-(2-Chlorobenzyl)-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dioneC23H23ClN6O3
- 7-Benzyl-8-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione377058-31-6C23H24N6O3
- 4-Chlorobenzaldehyde (7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone372501-19-4C21H19ClN6O2
- 7-(2-Chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-methylbenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione376621-10-2C22H21ClN6O2
- 7-[(4-Fluorophenyl)methyl]-8-{2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione378216-49-0C22H21FN6O3
- 8-[(2E)-2-Benzylidenehydrazinyl]-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione303971-39-3C20H17ClN6O2
- 4-Chlorobenzaldehyde [7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone374597-52-1C21H18Cl2N6O2
- 8-[(2E)-2-(2-Chlorobenzylidene)hydrazinyl]-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione374920-16-8C22H21ClN6O2
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=c1[nH]c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2)[nH]1](/scaffold/CTJBGXLVHHZBEB-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2)[nH]17 chemicals![Scaffold O=c1[nH]c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccccc2)[nH]1](/scaffold/ZZLUGNBFUSZNDQ-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccccc2)[nH]16 chemicals![Scaffold O=c1[nH]c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccccc2)[nH]1](/scaffold/KVZRYMLBOCSRQS-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccccc2)[nH]13 chemicals![Scaffold O=c1[nH]c(=O)c2c(nc(CNCc3ccccc3)n2Cc2ccccc2)[nH]1](/scaffold/YHTNOFDKTXUWIQ-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2c(nc(CNCc3ccccc3)n2Cc2ccccc2)[nH]13 chemicals
O=C(Cc1cc2ccccc2n1Cc1ccccc1)Nc1ccccc12 chemicals![Scaffold O=c1[nH]c(=O)c2c(nc(NN=Cc3ccncc3)n2Cc2ccccc2)[nH]1](/scaffold/NGTUEYUWHVXPST-UHFFFAOYSA-N/structure.svg)
O=c1[nH]c(=O)c2c(nc(NN=Cc3ccncc3)n2Cc2ccccc2)[nH]11 chemical
O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccccc11 chemical![Scaffold O=c1[nH]c(=O)c2c(nc(NN=Cc3cccnc3)n2Cc2ccccc2)[nH]1](/scaffold/XWVFOURIWPAQHM-UHFFFAOYSA-N/structure.svg)
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