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Murcko scaffold

Ring system with 4 rings and 23 atoms

126 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
126
With full pages
3
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(-n3cccn3)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.

Substructure search with this scaffold
Murcko scaffold O=c1[nH]c(=O)c2c(nc(-n3cccn3)n2Cc2ccccc2)[nH]1

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 126 chemicals

7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C18H18N6O2, CAS 301353-76-4
7-Benzyl-8-(3,5-dimethyl-pyrazol-1-yl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 301353-76-4C18H18N6O2
7-(4-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H17ClN6O2, CAS 305868-69-3
7-(4-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 305868-69-3C18H17ClN6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19FN6O2, CAS 333755-25-2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333755-25-2C19H19FN6O2
7-(2,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H18Cl2N6O2, CAS 959568-97-9
7-(2,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 959568-97-9C19H18Cl2N6O2
7-[(4-Chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione chemical structure, C19H19ClN6O2, CAS 1019100-22-1
7-[(4-Chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
CAS 1019100-22-1C19H19ClN6O2
7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione chemical structure, C19H18Cl2N6O2, CAS 1019100-24-3
7-[(3,4-Dichlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione
CAS 1019100-24-3C19H18Cl2N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19FN6O2, CAS 1009437-21-1
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1009437-21-1C19H19FN6O2
7-(2-Chloro-6-fluorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H18ClFN6O2, CAS 1014046-55-9
7-(2-Chloro-6-fluorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1014046-55-9C19H18ClFN6O2
7-(3-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H17ClN6O2, CAS 1014072-99-1
7-(3-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1014072-99-1C18H17ClN6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2, CAS 1014073-73-4
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1014073-73-4C21H24N6O2
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2, CAS 1014051-08-1
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1014051-08-1C20H22N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2, CAS 1014072-93-5
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1014072-93-5C21H24N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2, CAS 1013969-57-7
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1013969-57-7C21H24N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O2, CAS 1013969-82-8
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1013969-82-8C23H28N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O3, CAS 1013971-08-8
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1013971-08-8C22H26N6O3
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(3-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C23H28N6O3, CAS 1013971-11-3
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(3-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 1013971-11-3C23H28N6O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2, CAS 1013971-59-9
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1013971-59-9C21H24N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O3, CAS 1013989-35-9
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1013989-35-9C22H26N6O3
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C23H28N6O3, CAS 1013989-46-2
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(4-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 1013989-46-2C23H28N6O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O2, CAS 1013989-80-4
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1013989-80-4C22H26N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C24H30N6O2, CAS 1013990-04-9
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1013990-04-9C24H30N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O3, CAS 1013992-43-2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2,5-dimethylbenzyl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1013992-43-2C23H28N6O3
2-[7-[(2,5-Dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxopurin-1-yl]acetamide chemical structure, C22H25N7O3, CAS 1013968-16-5
2-[7-[(2,5-Dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-2,6-dioxopurin-1-yl]acetamide
CAS 1013968-16-5C22H25N7O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-7-(2-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H21FN6O2, CAS 1013968-41-6
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-7-(2-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1013968-41-6C20H21FN6O2