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Murcko scaffold

Ring system with 4 rings and 26 atoms

15 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 26
Chemicals: 15
With full pages: 3

Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCNCC3)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(N3CCNCC3)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 15 of 15 chemicals

3-Methyl-8-(4-methylpiperazin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C17H22N8O2S, CAS 685860-58-6

3-Methyl-8-(4-methylpiperazin-1-yl)-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 685860-58-6C₁₇H₂₂N₈O₂S

3-Methyl-8-(4-methylpiperazin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H24N8O2S, CAS 850914-31-7

3-Methyl-8-(4-methylpiperazin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 850914-31-7C₁₈H₂₄N₈O₂S

8-(4-Ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H28N8O2S, CAS 850914-75-9

8-(4-Ethylpiperazin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 850914-75-9C₂₀H₂₈N₈O₂S

1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione chemical structure, C18H24N8O2S, CAS 673442-95-0

1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione

CAS 673442-95-0C₁₈H₂₄N₈O₂S

7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione chemical structure, C21H30N8O2S, CAS 838903-85-8

7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-8-(4-ethylpiperazin-1-yl)-1,3-dimethylpurine-2,6-dione

CAS 838903-85-8C₂₁H₃₀N₈O₂S

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H24N8O3S, CAS 685860-61-1

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 685860-61-1C₁₈H₂₄N₈O₃S

8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C18H24N8O2S, CAS 713087-59-3

8-(4-Ethylpiperazin-1-yl)-3-methyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 713087-59-3C₁₈H₂₄N₈O₂S

7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione chemical structure, C20H28N8O2S, CAS 844466-03-1

7-[2-(4,6-Dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione

CAS 844466-03-1C₂₀H₂₈N₈O₂S

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H26N8O3S, CAS 850914-95-3

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(2-(pyrimidin-2-ylthio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 850914-95-3C₁₉H₂₆N₈O₃S

1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C19H26N8O2S, CAS 850914-74-8

1,3-Dimethyl-8-(4-methylpiperazin-1-yl)-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 850914-74-8C₁₉H₂₆N₈O₂S

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H28N8O3S, CAS 850914-94-2

8-(4-(2-Hydroxyethyl)piperazin-1-yl)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione

CAS 850914-94-2C₂₀H₂₈N₈O₃S

Ethyl 4-{1,3-dimethyl-2,6-dioxo-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}piperazine-1-carboxylate chemical structure, C20H26N8O4S, CAS 672321-73-2

Ethyl 4-{1,3-dimethyl-2,6-dioxo-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}piperazine-1-carboxylate

CAS 672321-73-2C₂₀H₂₆N₈O₄S

Ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate chemical structure, C19H24N8O4S, CAS 674813-96-8

Ethyl 4-[3-methyl-2,6-dioxo-7-(2-pyrimidin-2-ylsulfanylethyl)purin-8-yl]piperazine-1-carboxylate

CAS 674813-96-8C₁₉H₂₄N₈O₄S

7-[2-(4,6-Dimethylpyrimidin-2-ylthio)ethyl]-8-[4-(2-hydroxyethyl)piperazinyl]-3-methyl-1,3,7-trihydropurine-2,6-dione chemical structure, C20H28N8O3S, CAS 893949-60-5

7-[2-(4,6-Dimethylpyrimidin-2-ylthio)ethyl]-8-[4-(2-hydroxyethyl)piperazinyl]-3-methyl-1,3,7-trihydropurine-2,6-dione

CAS 893949-60-5C₂₀H₂₈N₈O₃S

3-Methyl-8-(4-propanoylpiperazin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C19H24N8O3S, CAS 1374683-55-2

3-Methyl-8-(4-propanoylpiperazin-1-yl)-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS 1374683-55-2C₁₉H₂₄N₈O₃S