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Murcko scaffold

7-Benzyl-1H-purine-2,6(3H,7H)-dione scaffold

574 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
574
With full pages
167
Scaffold SMILES

O=c1[nH]c(=O)c2c(ncn2Cc2ccccc2)[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 scaffoldOpen the 7-Benzyl-1H-purine-2,6(3H,7H)-dione page
Murcko scaffold O=c1[nH]c(=O)c2c(ncn2Cc2ccccc2)[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 48 of 574 chemicals

Dimabefylline chemical structure, C16H19N5O2, CAS 1703-48-6
Dimabefylline
CAS 1703-48-6C16H19N5O2
3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione chemical structure, C14H14N4O2, CAS 1807-85-8
3,7-Dihydro-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione
CAS 1807-85-8C14H14N4O2
8-Amino-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H15N5O2, CAS 31950-61-5
8-Amino-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 31950-61-5C14H15N5O2
7-Benzyl-1-hydroxy-3,7-dihydro-1H-purine-2,6-dione chemical structure, C12H10N4O3, CAS 1088-05-7
7-Benzyl-1-hydroxy-3,7-dihydro-1H-purine-2,6-dione
CAS 1088-05-7C12H10N4O3
7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H12N4O3S, CAS 1091-72-1
7-Benzyl-1-hydroxy-8-(methylthio)-3,7-dihydro-1H-purine-2,6-dione
CAS 1091-72-1C13H12N4O3S
7-Benzyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H15N5O2S, CAS 27042-79-1
7-Benzyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 27042-79-1C16H15N5O2S
8-Chloro-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H12ClN5O4, CAS 1604-79-1
8-Chloro-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 1604-79-1C14H12ClN5O4
7-Benzyl-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 130187-67-6
7-Benzyl-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 130187-67-6C16H19N5O3
7-(4-(tert-Butyl)benzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H22N4O2, CAS 333415-38-6
7-(4-(tert-Butyl)benzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333415-38-6C18H22N4O2
8-Chloro-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H11Cl3N4O2, CAS 109563-03-3
8-Chloro-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 109563-03-3C14H11Cl3N4O2
8-((2-Hydroxyethyl)amino)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O3, CAS 359905-80-9
8-((2-Hydroxyethyl)amino)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 359905-80-9C17H21N5O3
7-(4-Chlorobenzyl)-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H17ClN4O2S, CAS 303970-99-2
7-(4-Chlorobenzyl)-8-(ethylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 303970-99-2C16H17ClN4O2S
7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione chemical structure, C15H17N5O2, CAS 34594-93-9
7-Benzyl-1,3-dimethyl-8-methylamino-3,7-dihydro-purine-2,6-dione
CAS 34594-93-9C15H17N5O2
2-[1,3-Dimethyl-7-(3-methyl-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester chemical structure, C19H22N4O4S, CAS 371233-91-9
2-[1,3-Dimethyl-7-(3-methyl-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-propionic acid methyl ester
CAS 371233-91-9C19H22N4O4S
8-(2-Methoxy-ethylamino)-1,3-dimethyl-7-(3-methyl-benzyl)-3,7-dihydro-purine-2,6-dione chemical structure, C18H23N5O3, CAS 359901-73-8
8-(2-Methoxy-ethylamino)-1,3-dimethyl-7-(3-methyl-benzyl)-3,7-dihydro-purine-2,6-dione
CAS 359901-73-8C18H23N5O3
8-(Isobutylthio)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H24N4O2S, CAS 441289-42-5
8-(Isobutylthio)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 441289-42-5C19H24N4O2S
8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione chemical structure, C18H22N4O2S, CAS 303969-99-5
8-Isobutylsulfanyl-3-methyl-7-(4-methyl-benzyl)-3,7-dihydro-purine-2,6-dione
CAS 303969-99-5C18H22N4O2S
8-((2-Hydroxyethyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H20N4O3S, CAS 385386-91-4
8-((2-Hydroxyethyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
CAS 385386-91-4C17H20N4O3S
8-Bromo-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C13H10BrClN4O2, CAS 304880-50-0
8-Bromo-7-(2-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 304880-50-0C13H10BrClN4O2
1,3-Dimethyl-7-(3-methyl-benzyl)-8-propylamino-3,7-dihydro-purine-2,6-dione chemical structure, C18H23N5O2, CAS 377060-94-1
1,3-Dimethyl-7-(3-methyl-benzyl)-8-propylamino-3,7-dihydro-purine-2,6-dione
CAS 377060-94-1C18H23N5O2
8-Bromo-7-(2-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C14H12BrClN4O2, CAS 303973-68-4
8-Bromo-7-(2-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 303973-68-4C14H12BrClN4O2
7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H19N5O2, CAS 34594-77-9
7-Benzyl-8-dimethylamino-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
CAS 34594-77-9C16H19N5O2
Ethyl 2-[8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]acetate chemical structure, C17H16BrClN4O4, CAS 331840-01-8
Ethyl 2-[8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]acetate
CAS 331840-01-8C17H16BrClN4O4
8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione chemical structure, C17H19ClN4O2S, CAS 313470-81-4
8-(Butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CAS 313470-81-4C17H19ClN4O2S