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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 97 to 126 of 126 chemicals

7-(2,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H16Cl2N6O2, CAS 1019100-12-9
7-(2,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-12-9C18H16Cl2N6O2
7-(3,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H16Cl2N6O2, CAS 1019100-13-0
7-(3,4-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-13-0C18H16Cl2N6O2
7-(2-Chloro-6-fluorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H16ClFN6O2, CAS 1019100-14-1
7-(2-Chloro-6-fluorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-14-1C18H16ClFN6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2, CAS 1019100-18-5
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1019100-18-5C20H22N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2, CAS 1019100-19-6
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1019100-19-6C20H22N6O2
7-(2-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19ClN6O2, CAS 1019100-20-9
7-(2-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-20-9C19H19ClN6O2
7-(3-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19ClN6O2, CAS 1019100-21-0
7-(3-Chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-21-0C19H19ClN6O2
7-(2,6-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H18Cl2N6O2, CAS 1019100-25-4
7-(2,6-Dichlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1019100-25-4C19H18Cl2N6O2
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O2, CAS 1020454-49-2
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1020454-49-2C22H26N6O2
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O3, CAS 1020454-51-6
7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1020454-51-6C21H24N6O3
Methyl [7-benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate chemical structure, C21H22N6O4, CAS 1020454-53-8
Methyl [7-benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
CAS 1020454-53-8C21H22N6O4
2-(7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C20H21N7O3, CAS 1020454-55-0
2-(7-Benzyl-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 1020454-55-0C20H21N7O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O2, CAS 1020454-58-3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1020454-58-3C23H28N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O3, CAS 1020454-60-7
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1020454-60-7C22H26N6O3
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione chemical structure, C23H28N6O3, CAS 1020454-63-0
8-(3,5-Dimethylpyrazolyl)-1-(2-ethoxyethyl)-3-methyl-7-[(2-methylphenyl)methyl]-1,3,7-trihydropurine-2,6-dione
CAS 1020454-63-0C23H28N6O3
2-[8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide chemical structure, C21H23N7O3, CAS 1020454-66-3
2-[8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
CAS 1020454-66-3C21H23N7O3
Methyl 2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate chemical structure, C22H24N6O4, CAS 1020454-71-0
Methyl 2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
CAS 1020454-71-0C22H24N6O4
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C21H23N7O3, CAS 1020454-73-2
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(3-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 1020454-73-2C21H23N7O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O2, CAS 1020454-78-7
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-(4-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 1020454-78-7C23H28N6O2
Methyl 2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate chemical structure, C22H24N6O4, CAS 1020454-82-3
Methyl 2-[8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
CAS 1020454-82-3C22H24N6O4
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C21H23N7O3, CAS 1020454-84-5
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 1020454-84-5C21H23N7O3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25FN6O2, CAS 1020454-92-5
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1020454-92-5C22H25FN6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23FN6O3, CAS 1019102-27-2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1019102-27-2C21H23FN6O3
Methyl [8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate chemical structure, C21H21FN6O4, CAS 1019102-32-9
Methyl [8-(3,5-dimethyl-1H-pyrazol-1-yl)-7-(2-fluorobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
CAS 1019102-32-9C21H21FN6O4