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 193 to 240 of 416 chemicals
![Ethyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(m-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C25H23N5O4, CAS 896291-85-3](/s/GELXCHBRKRTTJQ-UHFFFAOYSA-N.svg)
Ethyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(m-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896291-85-3C25H23N5O4
![Ethyl 2-(8-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C25H22ClN5O4, CAS 896299-28-8](/s/PBHHTJAZMVZRLJ-UHFFFAOYSA-N.svg)
Ethyl 2-(8-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896299-28-8C25H22ClN5O4
![8-(5-Chloro-2-methylphenyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione chemical structure, C21H16ClN5O2, CAS 906162-16-1](/s/WQDBJNJBQZXGIN-UHFFFAOYSA-N.svg)
8-(5-Chloro-2-methylphenyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imidazolino[1,2-h]purine-2,4-dione
CAS 906162-16-1C21H16ClN5O2
![Methyl 2-[8-(2,5-dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetate chemical structure, C25H23N5O6, CAS 896301-01-2](/s/UJNBCZFWGWNHFA-UHFFFAOYSA-N.svg)
Methyl 2-[8-(2,5-dimethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl]acetate
CAS 896301-01-2C25H23N5O6
![8-(2,4-Dimethoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H25N5O5, CAS 896296-88-1](/s/XBHUSADBWKLUSQ-UHFFFAOYSA-N.svg)
8-(2,4-Dimethoxyphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896296-88-1C25H25N5O5
![Methyl 2-(8-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C25H23N5O4, CAS 896293-91-7](/s/XWAWPNSYCJLYGK-UHFFFAOYSA-N.svg)
Methyl 2-(8-(3,4-dimethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896293-91-7C25H23N5O4
![1-Methyl-8-(3-methylphenyl)-3-(2-oxopropyl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione chemical structure, C24H21N5O3, CAS 896292-09-4](/s/JRYWGJKTHDMZGP-UHFFFAOYSA-N.svg)
1-Methyl-8-(3-methylphenyl)-3-(2-oxopropyl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
CAS 896292-09-4C24H21N5O3
![Methyl 2-(8-(3-chloro-4-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C24H20ClN5O5, CAS 896300-45-1](/s/ZDWKLAOPMFVMLK-UHFFFAOYSA-N.svg)
Methyl 2-(8-(3-chloro-4-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896300-45-1C24H20ClN5O5
![8-(4-Ethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H23N5O4, CAS 896297-97-5](/s/YFCSXSREPAATRX-UHFFFAOYSA-N.svg)
8-(4-Ethoxyphenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896297-97-5C25H23N5O4
![Methyl 2-(8-(2-ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C25H23N5O4, CAS 896294-29-4](/s/OUILBWJQNXXABD-UHFFFAOYSA-N.svg)
Methyl 2-(8-(2-ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896294-29-4C25H23N5O4
![8-(3-Chloro-2-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione chemical structure, C24H22ClN5O3, CAS 896299-21-1](/s/RCOWRUUPYBRRKC-UHFFFAOYSA-N.svg)
8-(3-Chloro-2-methylphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
CAS 896299-21-1C24H22ClN5O3
![8-(4-Ethoxyphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C26H25N5O3, CAS 896297-43-1](/s/ZXIZOVPEQOJCMB-UHFFFAOYSA-N.svg)
8-(4-Ethoxyphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896297-43-1C26H25N5O3
![Ethyl 2-(8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C26H25N5O4, CAS 886896-29-3](/s/SREKQRBXXMKAAR-UHFFFAOYSA-N.svg)
Ethyl 2-(8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 886896-29-3C26H25N5O4
![8-(2-Ethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H25N5O3, CAS 896294-15-8](/s/XTIKTYJIBBOMPS-UHFFFAOYSA-N.svg)
8-(2-Ethylphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896294-15-8C25H25N5O3
![1-Methyl-3-(3-oxobutan-2-yl)-7-phenyl-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C25H23N5O3, CAS 896293-03-1](/s/OTXDFOZKMDDMBR-UHFFFAOYSA-N.svg)
1-Methyl-3-(3-oxobutan-2-yl)-7-phenyl-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896293-03-1C25H23N5O3
![8-(4-Fluorophenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H18FN5O3, CAS 887882-69-1](/s/BDPTWQCFNCRKTN-UHFFFAOYSA-N.svg)
8-(4-Fluorophenyl)-1-methyl-3-(2-oxopropyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 887882-69-1C23H18FN5O3
![3-(2-Ethoxyethyl)-8-(4-ethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C26H27N5O3, CAS 887881-70-1](/s/VEJMOYFDPCBLIH-UHFFFAOYSA-N.svg)
3-(2-Ethoxyethyl)-8-(4-ethylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 887881-70-1C26H27N5O3
![3-Ethyl-1-methyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C23H21N5O2, CAS 887881-04-1](/s/PGDMQYDVJKLKJQ-UHFFFAOYSA-N.svg)
3-Ethyl-1-methyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 887881-04-1C23H21N5O2
![3-(2-Ethoxyethyl)-8-(2-methoxy-5-methylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C26H27N5O4, CAS 886900-81-8](/s/FPFVNHUNKLKIFV-UHFFFAOYSA-N.svg)
3-(2-Ethoxyethyl)-8-(2-methoxy-5-methylphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 886900-81-8C26H27N5O4
![Methyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C24H21N5O4, CAS 896291-13-7](/s/ORBWSCNHXZBGIK-UHFFFAOYSA-N.svg)
Methyl 2-(1-methyl-2,4-dioxo-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 896291-13-7C24H21N5O4
![3-(2-Methoxyethyl)-1-methyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C24H23N5O3, CAS 887881-35-8](/s/AABGOKIBSRHDKQ-UHFFFAOYSA-N.svg)
3-(2-Methoxyethyl)-1-methyl-7-phenyl-8-(o-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 887881-35-8C24H23N5O3
![8-(4-Ethoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione chemical structure, C26H25N5O4, CAS 896298-05-8](/s/FHKDBSDQNORWJB-UHFFFAOYSA-N.svg)
8-(4-Ethoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CAS 896298-05-8C26H25N5O4
![2-(8-(4-Butylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide chemical structure, C26H26N6O3, CAS 896299-43-7](/s/JQPGCRWAPRIZHG-UHFFFAOYSA-N.svg)
2-(8-(4-Butylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide
CAS 896299-43-7C26H26N6O3
![Methyl 2-(8-(4-ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate chemical structure, C25H23N5O4, CAS 887881-77-8](/s/SBVQCBDMEDUPLI-UHFFFAOYSA-N.svg)
Methyl 2-(8-(4-ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate
CAS 887881-77-8C25H23N5O4
- 8-(4-Chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1,3,5-trihydro-4-imid azolino[1,2-h]purine-2,4-dione896298-52-5C23H20ClN5O3
- 3-Ethyl-1-methyl-7,8-diphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione887880-27-5C22H19N5O2
- 8-(4-Chlorophenyl)-3-ethyl-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896298-44-5C22H18ClN5O2
- Ethyl 2-(8-(4-ethylphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate887881-84-7C26H25N5O4
- 8-(3-Chloro-2-methylphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione886898-81-3C24H22ClN5O3
- 8-(4-Ethoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione877810-62-3C22H19N5O3
- 1-Methyl-7,8-diphenyl-3-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione887880-34-4C23H21N5O2
- 3-(2-Methoxyethyl)-1-methyl-7-phenyl-8-(p-tolyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896292-57-2C24H23N5O3
- 3-Ethyl-8-(4-fluorophenyl)-1-methyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione887882-35-1C22H18FN5O2
- 8-(4-Chlorophenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione896298-99-0C24H20ClN5O3
- 8-(3-Methoxyphenyl)-1-methyl-7-phenyl-3-propyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896295-05-9C24H23N5O3
- 8-(3-Methoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione896295-74-2C25H23N5O4
- 8-(2,5-Dimethoxyphenyl)-1-methyl-3-(2-methylallyl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione886901-38-8C26H25N5O4
- 8-(2,4-Dimethoxyphenyl)-3-(3-hydroxypropyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896296-81-4C25H25N5O5
- 3-Allyl-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896294-51-2C24H21N5O3
- 8-(2,5-Dimethoxyphenyl)-3-(2-ethoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione886901-48-0C26H27N5O5
- Ethyl 2-(8-(3-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate896295-52-6C25H23N5O5
- 3-(2-Ethoxyethyl)-8-(2-methoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896294-71-6C25H25N5O4
- Methyl 2-(8-(2-methoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate896294-78-3C24H21N5O5
- 8-(2,4-Dimethoxyphenyl)-3-(2-ethoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896296-95-0C26H27N5O5
- Methyl 2-(8-(2-ethoxyphenyl)-1-methyl-2,4-dioxo-7-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate899988-28-4C25H23N5O5
- 8-(2,4-Dimethoxyphenyl)-1-methyl-3-(3-oxobutan-2-yl)-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896297-19-1C26H25N5O5
- 3-Allyl-8-(2,4-dimethoxyphenyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896296-66-5C25H23N5O4
- 8-(5-Chloro-2-methylphenyl)-3-(2-methoxyethyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione896299-36-8C24H22ClN5O3