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Murcko scaffold

Ring system with 3 rings and 20 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
17
With full pages
15
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(CNCc3ccccc3)nc2[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)c2[nH]c(CNCc3ccccc3)nc2[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 17 of 17 chemicals

Ethyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate chemical structure, C20H25N5O4, CAS 578720-87-3
Ethyl (8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
CAS 578720-87-3C20H25N5O4
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H19N5O2, CAS 133231-17-1
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 133231-17-1C16H19N5O2
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione chemical structure, C19H25N5O2, CAS 585552-22-3
8-[(Benzyl-methyl-amino)-methyl]-1,3-dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione
CAS 585552-22-3C19H25N5O2
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione chemical structure, C21H29N5O2, CAS 577996-51-1
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CAS 577996-51-1C21H29N5O2
3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione chemical structure, C15H17N5O2, CAS 838898-97-8
3-Methyl-8-{[methylbenzylamino]methyl}-1,3,7-trihydropurine-2,6-dione
CAS 838898-97-8C15H17N5O2
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione chemical structure, C21H29N5O2, CAS 851941-75-8
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
CAS 851941-75-8C21H29N5O2
8-(((2-Chlorobenzyl)amino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H16ClN5O2, CAS 838866-39-0
8-(((2-Chlorobenzyl)amino)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 838866-39-0C15H16ClN5O2
8-[[Benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethylpurine-2,6-dione chemical structure, C20H27N5O2, CAS 851937-57-0
8-[[Benzyl(methyl)amino]methyl]-7-butyl-1,3-dimethylpurine-2,6-dione
CAS 851937-57-0C20H27N5O2
2-(8-{[Benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide chemical structure, C18H22N6O3, CAS 797028-12-7
2-(8-{[Benzyl(methyl)amino]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
CAS 797028-12-7C18H22N6O3
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C20H25N5O2, CAS 797028-22-9
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 797028-22-9C20H25N5O2
1,3-Dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione chemical structure, C16H19N5O2, CAS 838869-90-2
1,3-Dimethyl-8-[(1-phenylethylamino)methyl]-7H-purine-2,6-dione
CAS 838869-90-2C16H19N5O2
8-{[Benzyl(methyl)amino]methyl}-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H25N5O3, CAS 579444-24-9
8-{[Benzyl(methyl)amino]methyl}-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 579444-24-9C19H25N5O3
8-{[Benzyl(methyl)amino]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H27N5O3, CAS 586991-17-5
8-{[Benzyl(methyl)amino]methyl}-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 586991-17-5C20H27N5O3
8-((Benzyl(methyl)amino)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25N5O3, CAS 797028-31-0
8-((Benzyl(methyl)amino)methyl)-1,3-dimethyl-7-(3-oxobutan-2-yl)-1H-purine-2,6(3H,7H)-dione
CAS 797028-31-0C20H25N5O3
1,3-Dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylpropyl)purine-2,6-dione chemical structure, C20H27N5O2, CAS 851941-58-7
1,3-Dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylpropyl)purine-2,6-dione
CAS 851941-58-7C20H27N5O2
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione chemical structure, C19H25N5O2, CAS 577769-59-6
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
CAS 577769-59-6C19H25N5O2
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione chemical structure, C24H35N5O2, CAS 673497-07-9
8-[[Benzyl(methyl)amino]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione
CAS 673497-07-9C24H35N5O2