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Murcko scaffold

Ring system with 3 rings and 18 atoms

92 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
92
With full pages
11
Scaffold SMILES

O=c1[nH]c2nc[nH]c2c(=O)n1Cc1ccccc1

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]c2nc[nH]c2c(=O)n1Cc1ccccc1

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 92 chemicals

1-Benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dione chemical structure, C14H16N6O2, CAS 303969-86-0
1-Benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dione
CAS 303969-86-0C14H16N6O2
1-Benzyl-8-bromo-3,7-dimethylpurine-2,6-dione chemical structure, C14H13BrN4O2, CAS 331675-25-3
1-Benzyl-8-bromo-3,7-dimethylpurine-2,6-dione
CAS 331675-25-3C14H13BrN4O2
1-[(2,6-Dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione chemical structure, C14H12Cl2N4O2, CAS 313376-69-1
1-[(2,6-Dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CAS 313376-69-1C14H12Cl2N4O2
1-Benzyltheobromine chemical structure, C14H14N4O2, CAS 55247-90-0
1-Benzyltheobromine
CAS 55247-90-0C14H14N4O2
1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione chemical structure, C14H13ClN4O2, CAS 79603-49-9
1-[(2-Chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CAS 79603-49-9C14H13ClN4O2
8-Chloro-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H12Cl2N4O2, CAS 305864-96-4
8-Chloro-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 305864-96-4C14H12Cl2N4O2
1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione chemical structure, C14H13BrN4O2, CAS 313376-64-6
1-[(4-Bromophenyl)methyl]-3,7-dimethylpurine-2,6-dione
CAS 313376-64-6C14H13BrN4O2
1-(2-Chlorobenzyl)-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H17ClN4O2S, CAS 445429-01-6
1-(2-Chlorobenzyl)-8-(ethylsulfanyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 445429-01-6C16H17ClN4O2S
8-Chloro-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H11Cl3N4O2, CAS 317841-41-1
8-Chloro-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 317841-41-1C14H11Cl3N4O2
1-[(4-Chlorophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione chemical structure, C17H15ClN4O3, CAS 327099-11-6
1-[(4-Chlorophenyl)methyl]-3,7-dimethyl-8-prop-2-ynoxypurine-2,6-dione
CAS 327099-11-6C17H15ClN4O3
1-(2-Chlorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H18ClN5O3, CAS 304880-69-1
1-(2-Chlorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 304880-69-1C16H18ClN5O3
1-Benzyl-3,7-dimethyl-8-prop-2-enoxypurine-2,6-dione chemical structure, C17H18N4O3, CAS 371227-35-9
1-Benzyl-3,7-dimethyl-8-prop-2-enoxypurine-2,6-dione
CAS 371227-35-9C17H18N4O3
1-(4-Fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H13FN4O2, CAS 5995-95-9
1-(4-Fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 5995-95-9C14H13FN4O2
1-(4-Chlorobenzyl)-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20ClN5O3, CAS 503864-22-0
1-(4-Chlorobenzyl)-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 503864-22-0C17H20ClN5O3
1-[(2-Fluorophenyl)methyl]-8-(2-methoxyethylamino)-3,7-dimethylpurine-2,6-dione chemical structure, C17H20FN5O3, CAS 327098-43-1
1-[(2-Fluorophenyl)methyl]-8-(2-methoxyethylamino)-3,7-dimethylpurine-2,6-dione
CAS 327098-43-1C17H20FN5O3
1-(4-Chlorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H18ClN5O3, CAS 304879-44-5
1-(4-Chlorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 304879-44-5C16H18ClN5O3
1-Benzyl-8-((3-methoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N5O3, CAS 503864-28-6
1-Benzyl-8-((3-methoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 503864-28-6C18H23N5O3
1-[(4-Chlorophenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethylpurine-2,6-dione chemical structure, C18H22ClN5O3, CAS 493028-08-3
1-[(4-Chlorophenyl)methyl]-8-(3-methoxypropylamino)-3,7-dimethylpurine-2,6-dione
CAS 493028-08-3C18H22ClN5O3
1-(4-Chlorobenzyl)-8-((2-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20ClN5O3, CAS 305866-36-8
1-(4-Chlorobenzyl)-8-((2-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 305866-36-8C17H20ClN5O3
1-(4-Fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H18FN5O3, CAS 304879-98-9
1-(4-Fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 304879-98-9C16H18FN5O3
1-[(2-Chlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione chemical structure, C20H26ClN5O3, CAS 840480-77-5
1-[(2-Chlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
CAS 840480-77-5C20H26ClN5O3
1-(2-Chlorobenzyl)-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20ClN5O3, CAS 370074-22-9
1-(2-Chlorobenzyl)-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 370074-22-9C17H20ClN5O3
1-(4-Chlorobenzyl)-8-((3-isopropoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H26ClN5O3, CAS 840498-26-2
1-(4-Chlorobenzyl)-8-((3-isopropoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 840498-26-2C20H26ClN5O3
1-Benzyl-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O3, CAS 368433-62-9
1-Benzyl-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 368433-62-9C17H21N5O3