Murcko scaffold
Ring system with 5 rings and 26 atoms
416 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 26
- Chemicals
- 416
- With full pages
- 12
Scaffold SMILES
O=c1[nH]c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[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(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)[nH]1](/scaffold/DFQBXYIOCBTMIP-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 97 to 144 of 416 chemicals
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-7-(4-ethylphenyl)-8-(4-methoxyphenyl)-
CAS 96885-25-5C24H23N5O3
![6-(3-Chloro-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H18ClN5O2, CAS 401581-83-7](/s/RDAASLPZVQIRBW-UHFFFAOYSA-N.svg)
6-(3-Chloro-4-methylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 401581-83-7C22H18ClN5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-8-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-
CAS 96885-24-4C24H23N5O4
![7-(3-Methoxyphenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione chemical structure, C23H18F3N5O3, CAS 847037-59-6](/s/GDDYZMHDGYBIED-UHFFFAOYSA-N.svg)
7-(3-Methoxyphenyl)-2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CAS 847037-59-6C23H18F3N5O3
![6-(4-Ethylphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O2, CAS 844448-50-6](/s/MVEPXTPQMJVNNM-UHFFFAOYSA-N.svg)
6-(4-Ethylphenyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
CAS 844448-50-6C24H23N5O2
![6-(4-Hydroxyphenyl)-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H19N5O3, CAS 728035-81-2](/s/ILNZGECWZTZBQC-UHFFFAOYSA-N.svg)
6-(4-Hydroxyphenyl)-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 728035-81-2C22H19N5O3
![8-(4-Ethylphenyl)-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C24H23N5O2, CAS 889970-70-1](/s/RFFGFDIOCZBNPO-UHFFFAOYSA-N.svg)
8-(4-Ethylphenyl)-1,3,6-trimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 889970-70-1C24H23N5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 7,8-bis(4-methylphenyl)-1,3-dimethyl-
CAS 96885-23-3C23H21N5O2
![6-(4-Ethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O3, CAS 893765-21-4](/s/FOZCGKWZGSJAPQ-UHFFFAOYSA-N.svg)
6-(4-Ethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 893765-21-4C24H23N5O3
![6-(3,5-Dimethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O3, CAS 893765-23-6](/s/NKQRZGKABKWBCT-UHFFFAOYSA-N.svg)
6-(3,5-Dimethylphenyl)-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CAS 893765-23-6C24H23N5O3
![6-(2-Ethoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C22H19N5O3, CAS 878735-03-6](/s/KYWBZEDKDFSUJY-UHFFFAOYSA-N.svg)
6-(2-Ethoxyphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 878735-03-6C22H19N5O3
![6-(2,3-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O2, CAS 899727-40-3](/s/LIERIMZGADIIEC-UHFFFAOYSA-N.svg)
6-(2,3-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 899727-40-3C24H23N5O2
![8-(2,3-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O2, CAS 923421-68-5](/s/YCOBMYXEFCDNNG-UHFFFAOYSA-N.svg)
8-(2,3-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 923421-68-5C22H19N5O2
![8-(2,4-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O2, CAS 923421-83-4](/s/CERHNROFOYEKRJ-UHFFFAOYSA-N.svg)
8-(2,4-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 923421-83-4C22H19N5O2
![6-(2,4-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 923377-56-4](/s/SRFJNLWVYUKVFA-UHFFFAOYSA-N.svg)
6-(2,4-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 923377-56-4C23H21N5O2
![6-(2,4-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O2, CAS 922481-20-7](/s/JOCZUBMDCWXACT-UHFFFAOYSA-N.svg)
6-(2,4-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 922481-20-7C24H23N5O2
![8-(2,5-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C22H19N5O2, CAS 923489-78-5](/s/RZESBLPVZHKRRF-UHFFFAOYSA-N.svg)
8-(2,5-Dimethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 923489-78-5C22H19N5O2
![6-(2,5-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O2, CAS 922481-52-5](/s/XXBVETAOTASUIH-UHFFFAOYSA-N.svg)
6-(2,5-Dimethylphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 922481-52-5C23H21N5O2
![6-(2,5-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C24H23N5O2, CAS 923421-98-1](/s/JWOGADYSRFEGST-UHFFFAOYSA-N.svg)
6-(2,5-Dimethylphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 923421-98-1C24H23N5O2
![6-(2-Ethoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H21N5O3, CAS 923377-79-1](/s/GQALMXVDGYBISN-UHFFFAOYSA-N.svg)
6-(2-Ethoxyphenyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 923377-79-1C23H21N5O3
![6-(3-Chloro-4-methylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione chemical structure, C21H16ClN5O2, CAS 904372-97-0](/s/BQSBYIAZGXNSTR-UHFFFAOYSA-N.svg)
6-(3-Chloro-4-methylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CAS 904372-97-0C21H16ClN5O2
![8-(2-Fluorophenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C20H14FN5O2, CAS 923377-95-1](/s/QHEBHTCVFKARKN-UHFFFAOYSA-N.svg)
8-(2-Fluorophenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 923377-95-1C20H14FN5O2
![6-(2-Fluorophenyl)-4-methyl-7-phenyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione chemical structure, C23H18FN5O2, CAS 923378-01-2](/s/XGOJWLPLKMWXOD-UHFFFAOYSA-N.svg)
6-(2-Fluorophenyl)-4-methyl-7-phenyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
CAS 923378-01-2C23H18FN5O2
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,3-dimethyl-7-(4-ethylphenyl)-8-phenyl-
CAS 96885-66-4C23H21N5O2
- 8-(2,5-Dimethoxyphenyl)-7-(4-fluorophenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione923505-07-1C22H18FN5O4
- 8-(2,4-Dimethoxyphenyl)-7-(4-fluorophenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione923505-04-8C22H18FN5O4
- 8-(2,4-Dimethoxyphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione923505-55-9C23H20FN5O4
- 8-(3,4-Dimethylphenyl)-7-(4-fluorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione847854-03-9C23H20FN5O2
- 2-(8-(4-Ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide887881-91-6C24H22N6O3
- 3-(2-Methoxyethyl)-1-methyl-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione887880-65-1C23H21N5O3
- 8-(2-Methoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione886897-18-3C24H21N5O4
- 2-(1-Methyl-2,4-dioxo-7-phenyl-8-(p-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide896292-95-8C23H20N6O3
- 2-[8-(2-Chlorophenyl)-1-methyl-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolino [1,2-h]purin-3-yl]acetamide896300-03-1C22H17ClN6O3
- 2-(8-(5-Chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide886899-34-9C23H19ClN6O3
- 2-[8-(4-Methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]acetamide896296-42-7C23H20N6O4
- Methyl 2-(8-(3-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate896295-45-7C24H21N5O5
- 8-(2-Fluorophenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione899727-54-9C23H18FN5O3
- 2-(8-(3-Chloro-4-methylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide899988-30-8C23H19ClN6O3
- 8-(3-Methoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896295-66-2C24H21N5O4
- 1-Methyl-3-(2-oxopropyl)-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896291-45-5C24H21N5O3
- 2-(1-Methyl-2,4-dioxo-7,8-diphenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide887880-96-8C22H18N6O3
- 3-(2-Methoxyethyl)-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione896294-64-7C24H23N5O4
- 8-(2,4-Dimethoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione887466-55-9C22H19N5O4
- 2-[1-Methyl-8-(3-methylphenyl)-2,4-dioxo-7-phenyl-1,3,5-trihydro-4-imidazolino [1,2-h]purin-3-yl]acetamide896292-01-6C23H20N6O3
- 2-[1-Methyl-8-(2-methylphenyl)-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetamide896291-37-5C23H20N6O3
- 2-(8-(4-Ethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide896297-89-5C24H22N6O4
- 1-Methyl-3-(3-oxobutan-2-yl)-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione886895-79-0C24H21N5O3
- 8-(2,5-Dimethoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896300-93-9C25H25N5O5