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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 49 to 96 of 126 chemicals

7-[(2-Chlorophenyl)methyl]-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C19H19ClN6O2, CAS 1014012-30-6
7-[(2-Chlorophenyl)methyl]-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1014012-30-6C19H19ClN6O2
7-[(2-Fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione chemical structure, C19H19FN6O2, CAS 1014029-20-9
7-[(2-Fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione
CAS 1014029-20-9C19H19FN6O2
7-[(4-Fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydr opurine-2,6-dione chemical structure, C19H19FN6O2, CAS 1014029-26-5
7-[(4-Fluorophenyl)methyl]-3-methyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydr opurine-2,6-dione
CAS 1014029-26-5C19H19FN6O2
7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C20H21FN6O2, CAS 1014050-17-9
7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1014050-17-9C20H21FN6O2
7-[(6-Chloro-2-fluorophenyl)methyl]-1,3-dimethyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurine-2,6-dione chemical structure, C20H20ClFN6O2, CAS 1014051-34-3
7-[(6-Chloro-2-fluorophenyl)methyl]-1,3-dimethyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurine-2,6-dione
CAS 1014051-34-3C20H20ClFN6O2
7-Benzyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H26N6O3, CAS 1014010-63-9
7-Benzyl-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1014010-63-9C22H26N6O3
3-Methyl-1-(2-oxopropyl)-7-benzyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydrop urine-2,6-dione chemical structure, C22H24N6O3, CAS 1014011-05-2
3-Methyl-1-(2-oxopropyl)-7-benzyl-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydrop urine-2,6-dione
CAS 1014011-05-2C22H24N6O3
Methyl [7-benzyl-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate chemical structure, C22H24N6O4, CAS 1014011-56-3
Methyl [7-benzyl-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetate
CAS 1014011-56-3C22H24N6O4
1-(2-Methoxyethyl)-3-methyl-7-(2-methylbenzyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O3, CAS 1014050-15-7
1-(2-Methoxyethyl)-3-methyl-7-(2-methylbenzyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014050-15-7C23H28N6O3
3-Methyl-7-[(2-methylphenyl)methyl]-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazoly l)-1,3,7-trihydropurine-2,6-dione chemical structure, C23H26N6O3, CAS 1014033-22-7
3-Methyl-7-[(2-methylphenyl)methyl]-1-(2-oxopropyl)-8-(3,4,5-trimethylpyrazoly l)-1,3,7-trihydropurine-2,6-dione
CAS 1014033-22-7C23H26N6O3
2-{3-Methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurinyl}acetamide chemical structure, C22H25N7O3, CAS 1014050-58-8
2-{3-Methyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurinyl}acetamide
CAS 1014050-58-8C22H25N7O3
1-(2-Methoxyethyl)-3-methyl-7-(3-methylbenzyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O3, CAS 1014008-23-1
1-(2-Methoxyethyl)-3-methyl-7-(3-methylbenzyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014008-23-1C23H28N6O3
2-{3-Methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurinyl}acetamide chemical structure, C22H25N7O3, CAS 1014010-15-1
2-{3-Methyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-(3,4,5-trimethylpyrazolyl)-1,3,7-trihydropurinyl}acetamide
CAS 1014010-15-1C22H25N7O3
1-Ethyl-7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H23FN6O2, CAS 1014031-31-2
1-Ethyl-7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014031-31-2C21H23FN6O2
1-Butyl-7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27FN6O2, CAS 1014050-05-5
1-Butyl-7-(2-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014050-05-5C23H27FN6O2
7-(2-Fluorobenzyl)-1-isobutyl-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27FN6O2, CAS 1014031-64-1
7-(2-Fluorobenzyl)-1-isobutyl-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014031-64-1C23H27FN6O2
7-(2-Fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25FN6O3, CAS 1014051-32-1
7-(2-Fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014051-32-1C22H25FN6O3
2-(7-(2-Fluorobenzyl)-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C21H22FN7O3, CAS 1014053-06-5
2-(7-(2-Fluorobenzyl)-3-methyl-2,6-dioxo-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 1014053-06-5C21H22FN7O3
1-Butyl-7-(4-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27FN6O2, CAS 1014071-47-6
1-Butyl-7-(4-fluorobenzyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014071-47-6C23H27FN6O2
7-(4-Fluorobenzyl)-1-isobutyl-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H27FN6O2, CAS 1014071-56-7
7-(4-Fluorobenzyl)-1-isobutyl-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014071-56-7C23H27FN6O2
7-(4-Fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H25FN6O3, CAS 1014008-79-7
7-(4-Fluorobenzyl)-1-(2-methoxyethyl)-3-methyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014008-79-7C22H25FN6O3
2-[7-[(4-Fluorophenyl)methyl]-3-methyl-2,6-dioxo-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide chemical structure, C21H22FN7O3, CAS 1014009-53-0
2-[7-[(4-Fluorophenyl)methyl]-3-methyl-2,6-dioxo-8-(3,4,5-trimethylpyrazol-1-yl)purin-1-yl]acetamide
CAS 1014009-53-0C21H22FN7O3
8-(3,5-Diethylpyrazolyl)-3-methyl-7-benzyl-1,3,7-trihydropurine-2,6-dione chemical structure, C20H22N6O2, CAS 1014032-93-9
8-(3,5-Diethylpyrazolyl)-3-methyl-7-benzyl-1,3,7-trihydropurine-2,6-dione
CAS 1014032-93-9C20H22N6O2
8-(3,5-Diethyl-1H-pyrazol-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H24N6O2, CAS 1014033-01-2
8-(3,5-Diethyl-1H-pyrazol-1-yl)-3-methyl-7-[(2-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1014033-01-2C21H24N6O2