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Murcko scaffold

Ring system with 4 rings and 26 atoms

23 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
23
With full pages
12
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCCCC3)n2CCSc2ncccn2)[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(nc(N3CCCCC3)n2CCSc2ncccn2)[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 23 of 23 chemicals

7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione chemical structure, C20H27N7O2S, CAS 674357-96-1
7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione
CAS 674357-96-1C20H27N7O2S
7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-(4-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione chemical structure, C21H29N7O2S, CAS 672331-27-0
7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-(4-methyl-piperidin-1-yl)-3,7-dihydro-purine-2,6-dione
CAS 672331-27-0C21H29N7O2S
1,3-Dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 850914-51-1
1,3-Dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-51-1C19H25N7O2S
8-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H29N7O2S, CAS 850914-66-8
8-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-66-8C21H29N7O2S
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H27N7O2S, CAS 850914-62-4
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-62-4C20H27N7O2S
1,3-Dimethyl-8-(piperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N7O2S, CAS 676157-19-0
1,3-Dimethyl-8-(piperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 676157-19-0C18H23N7O2S
7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione chemical structure, C19H25N7O2S, CAS 674330-30-4
7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CAS 674330-30-4C19H25N7O2S
3-Methyl-8-(piperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H21N7O2S, CAS 685860-41-7
3-Methyl-8-(piperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-41-7C17H21N7O2S
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N7O2S, CAS 685860-47-3
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-47-3C18H23N7O2S
8-(3,5-Dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C22H31N7O2S, CAS 839680-91-0
8-(3,5-Dimethylpiperidin-1-yl)-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
CAS 839680-91-0C22H31N7O2S
7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione chemical structure, C20H27N7O2S, CAS 672933-30-1
7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CAS 672933-30-1C20H27N7O2S
8-(3,5-Dimethylpiperidin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 685860-52-0
8-(3,5-Dimethylpiperidin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-52-0C19H25N7O2S
1-{1,3-Dimethyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide chemical structure, C19H24N8O3S, CAS 476482-47-0
1-{1,3-Dimethyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide
CAS 476482-47-0C19H24N8O3S
1,3-Dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H27N7O2S, CAS 850914-57-7
1,3-Dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-57-7C20H27N7O2S
8-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione chemical structure, C20H27N7O2S, CAS 850914-67-9
8-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
CAS 850914-67-9C20H27N7O2S
1-{3-Methyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide chemical structure, C18H22N8O3S, CAS 476482-88-9
1-{3-Methyl-2,6-dioxo-7-[2-(2-pyrimidinylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide
CAS 476482-88-9C18H22N8O3S
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 850914-63-5
1,3-Dimethyl-8-(4-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-63-5C19H25N7O2S
1-[1,3-Dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide chemical structure, C20H26N8O3S, CAS 673441-85-5
1-[1,3-Dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
CAS 673441-85-5C20H26N8O3S
3-Methyl-8-(3-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N7O2S, CAS 685860-43-9
3-Methyl-8-(3-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-43-9C18H23N7O2S
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 850914-24-8
3-Methyl-8-(4-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-24-8C19H25N7O2S
3-Methyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H23N7O2S, CAS 850914-16-8
3-Methyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-16-8C18H23N7O2S
1,3-Dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 850914-58-8
1,3-Dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-58-8C19H25N7O2S
3-Methyl-8-(3-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H25N7O2S, CAS 850914-22-6
3-Methyl-8-(3-methylpiperidin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-22-6C19H25N7O2S