CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 20 atoms

25 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
25
With full pages
15
Scaffold SMILES

O=c1[nH]c(=O)c2c(ncn2CCOc2ccccc2)[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(ncn2CCOc2ccccc2)[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 25 of 25 chemicals

8-((2-(Diethylamino)ethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H28N6O3, CAS 536718-76-0
8-((2-(Diethylamino)ethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 536718-76-0C20H28N6O3
8-(Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H23N5O3, CAS 476481-62-6
8-(Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-62-6C18H23N5O3
8-Hydrazinyl-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione chemical structure, C14H16N6O3, CAS 536718-48-6
8-Hydrazinyl-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
CAS 536718-48-6C14H16N6O3
8-(Ethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 476481-57-9
8-(Ethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-57-9C16H19N5O3
8-(Dimethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H19N5O3, CAS 476481-55-7
8-(Dimethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-55-7C16H19N5O3
8-Amino-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H15N5O3, CAS 476481-51-3
8-Amino-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-51-3C14H15N5O3
3-Methyl-8-(methylamino)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C15H17N5O3, CAS 476481-53-5
3-Methyl-8-(methylamino)-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-53-5C15H17N5O3
1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)- chemical structure, C18H23N5O3, CAS 105522-58-5
1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)-
CAS 105522-58-5C18H23N5O3
2-[3-Methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic acid chemical structure, C16H16N4O5S, CAS 105522-64-3
2-[3-Methyl-2,6-dioxo-7-(2-phenoxyethyl)purin-8-yl]sulfanylacetic acid
CAS 105522-64-3C16H16N4O5S
8-Bromo-7-[2-(4-chlorophenoxy)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C15H14BrClN4O3, CAS 228247-61-8
8-Bromo-7-[2-(4-chlorophenoxy)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 228247-61-8C15H14BrClN4O3
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)- chemical structure, C16H19N5O4, CAS 105522-57-4
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-
CAS 105522-57-4C16H19N5O4
8-((3-HO-Propyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H21N5O4, CAS 476481-41-1
8-((3-HO-Propyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-41-1C17H21N5O4
8-(Allylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H19N5O3, CAS 476481-61-5
8-(Allylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-61-5C17H19N5O3
3-Methyl-7-(2-phenoxyethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H21N5O3, CAS 476481-59-1
3-Methyl-7-(2-phenoxyethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-59-1C17H21N5O3
8-(sec-Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H23N5O3, CAS 476481-63-7
8-(sec-Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-63-7C18H23N5O3
8-(Bis(2-HO-ethyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C18H23N5O5, CAS 476481-49-9
8-(Bis(2-HO-ethyl)amino)-3-ME-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-49-9C18H23N5O5
1,3-Dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione chemical structure, C16H18N4O3, CAS 849534-26-5
1,3-Dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione
CAS 849534-26-5C16H18N4O3
7-[2-(4-Fluorophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C15H15FN4O3, CAS 848913-70-2
7-[2-(4-Fluorophenoxy)ethyl]-1,3-dimethylpurine-2,6-dione
CAS 848913-70-2C15H15FN4O3
3-Methyl-8-(pentylamino)-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N5O3, CAS 887864-81-5
3-Methyl-8-(pentylamino)-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 887864-81-5C19H25N5O3
8-((2-Hydroxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O4, CAS 919019-98-0
8-((2-Hydroxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 919019-98-0C17H21N5O4
8-((3-Methoxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N5O4, CAS 919020-00-1
8-((3-Methoxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 919020-00-1C18H23N5O4
8-((3-Isopropoxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H27N5O4, CAS 941873-63-8
8-((3-Isopropoxypropyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 941873-63-8C20H27N5O4
8-(Isopropylamino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N5O3, CAS 1203261-05-5
8-(Isopropylamino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6(3H,7H)-dione
CAS 1203261-05-5C17H21N5O3
2-((3-Methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid chemical structure, C16H17N5O5, CAS 1203022-41-6
2-((3-Methyl-2,6-dioxo-7-(2-phenoxyethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid
CAS 1203022-41-6C16H17N5O5