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Murcko scaffold

Ring system with 4 rings and 26 atoms

41 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
41
With full pages
20
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(NCc3ccccc3)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(NCc3ccccc3)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 41 of 41 chemicals

7-Benzyl-8-(benzyl(methyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H21N5O2, CAS 332904-97-9
7-Benzyl-8-(benzyl(methyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-97-9C21H21N5O2
8-(Benzyl(methyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H20ClN5O2, CAS 376624-20-3
8-(Benzyl(methyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 376624-20-3C21H20ClN5O2
8-(Benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H22ClN5O3, CAS 442864-93-9
8-(Benzyl(2-hydroxyethyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 442864-93-9C22H22ClN5O3
7-Benzyl-8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H21N5O2, CAS 359905-29-6
7-Benzyl-8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 359905-29-6C21H21N5O2
7-Benzyl-8-[benzyl(methyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H23N5O2, CAS 500118-33-2
7-Benzyl-8-[benzyl(methyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 500118-33-2C22H23N5O2
8-(Benzylamino)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H20ClN5O2, CAS 305863-91-6
8-(Benzylamino)-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 305863-91-6C21H20ClN5O2
8-Benzylamino-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C20H18ClN5O2, CAS 491602-92-7
8-Benzylamino-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 491602-92-7C20H18ClN5O2
8-(Benzylamino)-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H23N5O2, CAS 359905-69-4
8-(Benzylamino)-1,3-dimethyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 359905-69-4C22H23N5O2
8-(Benzyl(methyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H23N5O2, CAS 378200-66-9
8-(Benzyl(methyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 378200-66-9C22H23N5O2
8-(Benzyl(methyl)amino)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C23H25N5O2, CAS 377061-04-6
8-(Benzyl(methyl)amino)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 377061-04-6C23H25N5O2
8-(Benzylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H20FN5O2, CAS 330835-74-0
8-(Benzylamino)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 330835-74-0C21H20FN5O2
8-(Benzyl(methyl)amino)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H22FN5O2, CAS 333752-53-7
8-(Benzyl(methyl)amino)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-53-7C22H22FN5O2
7-(4-Fluorobenzyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H20FN5O2, CAS 505080-85-3
7-(4-Fluorobenzyl)-3-methyl-8-((4-methylbenzyl)amino)-1H-purine-2,6(3H,7H)-dione
CAS 505080-85-3C21H20FN5O2
8-(Benzyl(methyl)amino)-7-(4-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H20FN5O2, CAS 505080-86-4
8-(Benzyl(methyl)amino)-7-(4-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 505080-86-4C21H20FN5O2
8-(Benzylamino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H21N5O2, CAS 303973-19-5
8-(Benzylamino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 303973-19-5C21H21N5O2
3-Methyl-7-[(3-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione chemical structure, C22H23N5O2, CAS 303973-20-8
3-Methyl-7-[(3-methylphenyl)methyl]-8-[(4-methylphenyl)methylamino]purine-2,6-dione
CAS 303973-20-8C22H23N5O2
8-(Benzyl(ME)amino)-1,3-dimethyl-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H25N5O2, CAS 332904-82-2
8-(Benzyl(ME)amino)-1,3-dimethyl-7-(4-ME-benzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-82-2C23H25N5O2
8-(Benzyl(ME)amino)-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H20ClN5O2, CAS 332904-98-0
8-(Benzyl(ME)amino)-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-98-0C21H20ClN5O2
8-(Benzyl(ME)amino)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H20BrN5O2, CAS 332905-00-7
8-(Benzyl(ME)amino)-7-(3-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332905-00-7C21H20BrN5O2
7-Benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione chemical structure, C22H23N5O2, CAS 332905-33-6
7-Benzyl-1,3-dimethyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
CAS 332905-33-6C22H23N5O2
8-[Benzyl(methyl)amino]-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H21Cl2N5O2, CAS 573973-19-0
8-[Benzyl(methyl)amino]-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CAS 573973-19-0C22H21Cl2N5O2
7-Benzyl-8-((4-methoxybenzyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H21N5O3, CAS 578004-38-3
7-Benzyl-8-((4-methoxybenzyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 578004-38-3C21H21N5O3
8-[Benzyl(methyl)amino]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione chemical structure, C21H20FN5O2, CAS 673444-70-7
8-[Benzyl(methyl)amino]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione
CAS 673444-70-7C21H20FN5O2
7-[(2-Chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione chemical structure, C21H20ClN5O3, CAS 671818-76-1
7-[(2-Chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione
CAS 671818-76-1C21H20ClN5O3