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Murcko scaffold

Ring system with 4 rings and 22 atoms

39 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
39
With full pages
30
Scaffold SMILES

O=c1[nH]c(=O)c2c(ncn2Cc2cccc3ccccc23)[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(ncn2Cc2cccc3ccccc23)[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 39 of 39 chemicals

1,3-Dimethyl-7-(1-naphthylmethyl)-8-propoxy-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H22N4O3, CAS 476480-40-7
1,3-Dimethyl-7-(1-naphthylmethyl)-8-propoxy-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-40-7C21H22N4O3
8-Amino-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H15N5O2, CAS 476480-57-6
8-Amino-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-57-6C17H15N5O2
3-Methyl-8-(methylamino)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H17N5O2, CAS 476480-58-7
3-Methyl-8-(methylamino)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-58-7C18H17N5O2
8-(Dimethylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H19N5O2, CAS 476480-59-8
8-(Dimethylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-59-8C19H19N5O2
8-Amino-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H17N5O2, CAS 476480-20-3
8-Amino-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-20-3C18H17N5O2
8-(Ethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H19N5O2, CAS 476480-60-1
8-(Ethylamino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 476480-60-1C19H19N5O2
8-((2-(Dimethylamino)ethyl)amino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H24N6O2, CAS 476479-99-9
8-((2-(Dimethylamino)ethyl)amino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476479-99-9C21H24N6O2
8-((2-(Diethylamino)ethyl)amino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H28N6O2, CAS 476480-00-9
8-((2-(Diethylamino)ethyl)amino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-00-9C23H28N6O2
8-[Bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H25N5O4, CAS 476480-32-7
8-[Bis(2-hydroxyethyl)amino]-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-32-7C22H25N5O4
8-(Ethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H21N5O2, CAS 476480-24-7
8-(Ethylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 476480-24-7C20H21N5O2
8-(Dimethylamino)-1,3-dimethyl-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H21N5O2, CAS 476480-23-6
8-(Dimethylamino)-1,3-dimethyl-7-(1-naphthyl-ME)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-23-6C20H21N5O2
8-(Diethylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H23N5O2, CAS 476480-61-2
8-(Diethylamino)-3-methyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-61-2C21H23N5O2
8-(2-(Dimethylamino)ethoxy)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H25N5O3, CAS 476480-70-3
8-(2-(Dimethylamino)ethoxy)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-70-3C22H25N5O3
1,3-Dimethyl-8-(methylthio)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H18N4O2S, CAS 476480-82-7
1,3-Dimethyl-8-(methylthio)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-82-7C19H18N4O2S
8-(Ethylthio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H20N4O2S, CAS 476480-83-8
8-(Ethylthio)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 476480-83-8C20H20N4O2S
8-(Isopropylthio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H22N4O2S, CAS 476480-85-0
8-(Isopropylthio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-85-0C21H22N4O2S
8-((2-(Diethylamino)ethyl)amino)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C24H30N6O2, CAS 309938-20-3
8-((2-(Diethylamino)ethyl)amino)-1,3-dimethyl-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 309938-20-3C24H30N6O2
1,3-Dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H23N5O2, CAS 476480-25-8
1,3-Dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-25-8C21H23N5O2
8-((2-HO-ET)Amino)-1,3-dimethyl-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H21N5O3, CAS 359910-28-4
8-((2-HO-ET)Amino)-1,3-dimethyl-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
CAS 359910-28-4C20H21N5O3
8-((3-HO-Propyl)amino)-3-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H21N5O3, CAS 476480-11-2
8-((3-HO-Propyl)amino)-3-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-11-2C20H21N5O3
8-(Allylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H21N5O2, CAS 476480-26-9
8-(Allylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
CAS 476480-26-9C21H21N5O2
8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H20N4O3S, CAS 476480-42-9
8-((2-HO-ET)Thio)-1,3-DI-ME-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-42-9C20H20N4O3S
8-((2-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H22N4O3S, CAS 476480-44-1
8-((2-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
CAS 476480-44-1C21H22N4O3S
8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H22N4O3S, CAS 476480-46-3
8-((3-HO-Propyl)thio)-1,3-DI-ME-7-(1-naphthyl-ME)3,7-dihydro-1H-purine-2,6-dione
CAS 476480-46-3C21H22N4O3S