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Murcko scaffold

Ring system with 3 rings and 23 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
10
With full pages
3
Scaffold SMILES

O=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)OCc1ccccc1

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=C(CSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)OCc1ccccc1

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 10 of 10 chemicals

(7-Allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid benzyl ester chemical structure, C19H20N4O4S, CAS 378207-02-4
(7-Allyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetic acid benzyl ester
CAS 378207-02-4C19H20N4O4S
Benzyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate chemical structure, C19H20N4O4S, CAS 491614-98-3
Benzyl 2-[3-methyl-7-(2-methylprop-2-enyl)-2,6-dioxopurin-8-yl]sulfanylacetate
CAS 491614-98-3C19H20N4O4S
Benzyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate chemical structure, C20H24N4O4S, CAS 377054-65-4
Benzyl 2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylacetate
CAS 377054-65-4C20H24N4O4S
Benzyl 2-((7-allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate chemical structure, C18H18N4O4S, CAS 378212-57-8
Benzyl 2-((7-allyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
CAS 378212-57-8C18H18N4O4S
Benzyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate chemical structure, C18H20N4O5S, CAS 313470-55-2
Benzyl 2-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
CAS 313470-55-2C18H20N4O5S
Benzyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate chemical structure, C20H24N4O4S, CAS 371213-24-0
Benzyl 2-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylacetate
CAS 371213-24-0C20H24N4O4S
Benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate chemical structure, C19H22N4O5S, CAS 799252-84-9
Benzyl 2-[7-(2-ethoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]sulfanylacetate
CAS 799252-84-9C19H22N4O5S
Benzyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate chemical structure, C23H30N4O4S, CAS 384351-37-5
Benzyl 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanylacetate
CAS 384351-37-5C23H30N4O4S
(E)-Benzyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate chemical structure, C19H20N4O4S, CAS 313470-44-9
(E)-Benzyl 2-((7-(but-2-en-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetate
CAS 313470-44-9C19H20N4O4S
Benzyl 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate chemical structure, C17H18N4O4S, CAS 886904-67-2
Benzyl 2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetate
CAS 886904-67-2C17H18N4O4S