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Murcko scaffold

Ring system with 3 rings and 18 atoms

17 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
17
With full pages
8
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(NCc3ccco3)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(NCc3ccco3)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

7-Ethyl-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H17N5O3, CAS 682761-57-5
7-Ethyl-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 682761-57-5C14H17N5O3
8-((Furan-2-ylmethyl)amino)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C15H17N5O3, CAS 371213-98-8
8-((Furan-2-ylmethyl)amino)-3-methyl-7-(2-methylallyl)-1H-purine-2,6(3H,7H)-dione
CAS 371213-98-8C15H17N5O3
8-(Furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione chemical structure, C11H11N5O3, CAS 500198-81-2
8-(Furan-2-ylmethylamino)-3-methyl-7H-purine-2,6-dione
CAS 500198-81-2C11H11N5O3
8-((Furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C12H13N5O3, CAS 516455-46-2
8-((Furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 516455-46-2C12H13N5O3
8-((2-Furylmethyl)amino)-7-(2-hydroxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H15N5O4, CAS 476481-42-2
8-((2-Furylmethyl)amino)-7-(2-hydroxyethyl)-3-ME-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-42-2C13H15N5O4
8-((2-Furylmethyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C12H13N5O3, CAS 476481-19-3
8-((2-Furylmethyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-19-3C12H13N5O3
7-(2,3-Dihydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H19N5O5, CAS 333752-24-2
7-(2,3-Dihydroxypropyl)-8-((furan-2-ylmethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-24-2C15H19N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H23N5O5, CAS 333752-28-6
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxy-3-isopropoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-28-6C17H23N5O5
8-((Furan-2-ylmethyl)amino)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H17N5O4, CAS 384361-36-8
8-((Furan-2-ylmethyl)amino)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 384361-36-8C14H17N5O4
7-Butyl-8-((2-furylmethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H19N5O3, CAS 476480-74-7
7-Butyl-8-((2-furylmethyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-74-7C15H19N5O3
7-(3-CL-2-Butenyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H16ClN5O3, CAS 478253-00-8
7-(3-CL-2-Butenyl)-8-((2-furylmethyl)amino)-3-ME-3,7-dihydro-1H-purine-2,6-dione
CAS 478253-00-8C15H16ClN5O3
7-(3-CL-2-Butenyl)8-((2-furyl-ME)amino)1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H18ClN5O3, CAS 478252-95-8
7-(3-CL-2-Butenyl)8-((2-furyl-ME)amino)1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione
CAS 478252-95-8C16H18ClN5O3
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H17N5O4, CAS 876894-09-6
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 876894-09-6C14H17N5O4
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H19N5O4, CAS 878452-00-7
8-((Furan-2-ylmethyl)amino)-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 878452-00-7C15H19N5O4
Methyl 2-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate chemical structure, C15H17N5O5, CAS 879070-81-2
Methyl 2-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
CAS 879070-81-2C15H17N5O5
2-(8-((Furan-2-ylmethyl)amino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide chemical structure, C14H17N7O4, CAS 899972-43-1
2-(8-((Furan-2-ylmethyl)amino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetohydrazide
CAS 899972-43-1C14H17N7O4
7-(3-(Allyloxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O5, CAS 899358-04-4
7-(3-(Allyloxy)-2-hydroxypropyl)-8-((furan-2-ylmethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 899358-04-4C17H21N5O5