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Murcko scaffold

Ring system with 3 rings and 19 atoms

86 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
86
With full pages
32
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(NCc3ccccc3)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(NCc3ccccc3)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 48 of 86 chemicals

1H-Purine-2,6-dione, 3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl- chemical structure, C15H17N5O2, CAS 130187-58-5
1H-Purine-2,6-dione, 3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-
CAS 130187-58-5C15H17N5O2
3,9-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione chemical structure, C14H15N5O2, CAS 57000-13-2
3,9-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
CAS 57000-13-2C14H15N5O2
Sdz mks 492 chemical structure, C20H27N5O6, CAS 114606-56-3
Sdz mks 492
CAS 114606-56-3C20H27N5O6
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)- chemical structure, C16H19N5O2, CAS 40171-65-1
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(ethyl(phenylmethyl)amino)-
CAS 40171-65-1C16H19N5O2
8-(Benzyl(methyl)amino)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N5O3, CAS 577961-18-3
8-(Benzyl(methyl)amino)-7-(2-ethoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 577961-18-3C18H23N5O3
7-(2-Methoxy-ethyl)-3-methyl-8-(4-methyl-benzylamino)-3,7-dihydro-purine-2,6-dione chemical structure, C17H21N5O3, CAS 797806-65-6
7-(2-Methoxy-ethyl)-3-methyl-8-(4-methyl-benzylamino)-3,7-dihydro-purine-2,6-dione
CAS 797806-65-6C17H21N5O3
8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C16H19N5O3, CAS 333769-08-7
8-Benzylamino-7-(2-methoxy-ethyl)-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 333769-08-7C16H19N5O3
8-(Benzyl(methyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H17N5O2, CAS 359712-75-7
8-(Benzyl(methyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 359712-75-7C15H17N5O2
8-(Benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N5O2, CAS 300392-63-6
8-(Benzylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 300392-63-6C18H23N5O2
8-(Benzylamino)-3-methyl-7-(3-methylbut-2-en-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21N5O2, CAS 313470-64-3
8-(Benzylamino)-3-methyl-7-(3-methylbut-2-en-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 313470-64-3C18H21N5O2
8-(Benzyl(methyl)amino)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H21N5O2, CAS 376378-79-9
8-(Benzyl(methyl)amino)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
CAS 376378-79-9C18H21N5O2
7-Allyl-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H19N5O2, CAS 377051-02-0
7-Allyl-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 377051-02-0C17H19N5O2
3,9-Dihydro-1,3-dimethyl-8-[methyl(phenylmethyl)amino]-1H-purine-2,6-dione chemical structure, C15H17N5O2, CAS 40799-92-6
3,9-Dihydro-1,3-dimethyl-8-[methyl(phenylmethyl)amino]-1H-purine-2,6-dione
CAS 40799-92-6C15H17N5O2
8-(Benzylamino)-7-isopropyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H19N5O2, CAS 331675-07-1
8-(Benzylamino)-7-isopropyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 331675-07-1C16H19N5O2
3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C18H21N5O2, CAS 332099-00-0
3-Methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 332099-00-0C18H21N5O2
8-(Benzylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C18H21N5O2, CAS 377053-14-0
8-(Benzylamino)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 377053-14-0C18H21N5O2
8-[Benzyl(methyl)amino]-1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C18H21N5O2, CAS 377052-13-6
8-[Benzyl(methyl)amino]-1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 377052-13-6C18H21N5O2
8-(Benzylamino)-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O2, CAS 335403-27-5
8-(Benzylamino)-1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione
CAS 335403-27-5C17H21N5O2
8-(Benzylamino)-3-methyl-7-propylpurine-2,6-dione chemical structure, C16H19N5O2, CAS 313554-10-8
8-(Benzylamino)-3-methyl-7-propylpurine-2,6-dione
CAS 313554-10-8C16H19N5O2
8-(Benzyl(methyl)amino)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O2, CAS 332384-53-9
8-(Benzyl(methyl)amino)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332384-53-9C16H19N5O2
8-(Benzyl(methyl)amino)-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H23N5O2, CAS 332904-92-4
8-(Benzyl(methyl)amino)-7-isobutyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 332904-92-4C18H23N5O2
3-Methyl-8-[(4-methylphenyl)methylamino]-7-prop-2-enylpurine-2,6-dione chemical structure, C17H19N5O2, CAS 304880-13-5
3-Methyl-8-[(4-methylphenyl)methylamino]-7-prop-2-enylpurine-2,6-dione
CAS 304880-13-5C17H19N5O2
7-(2-HO-Ethyl)-3-ME-8-((4-methylbenzyl)amino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 476481-52-4
7-(2-HO-Ethyl)-3-ME-8-((4-methylbenzyl)amino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-52-4C16H19N5O3
8-(Benzyl(methyl)amino)-7-(2-HO-ethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 476481-54-6
8-(Benzyl(methyl)amino)-7-(2-HO-ethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-54-6C16H19N5O3