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Murcko scaffold

Ring system with 3 rings and 21 atoms

13 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
13
With full pages
10
Scaffold SMILES

c1ccc(Nc2ncnc(CSc3ncccn3)n2)cc1

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 c1ccc(Nc2ncnc(CSc3ncccn3)n2)cc1

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 13 of 13 chemicals

N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine chemical structure, C14H13N7S, CAS 296790-87-9
N-Phenyl-6-(pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CAS 296790-87-9C14H13N7S
6-(4-Methyl-pyrimidin-2-ylsulfanylmethyl)-N-m-tolyl-[1,3,5]triazine-2,4-diamine chemical structure, C16H17N7S, CAS 689762-76-3
6-(4-Methyl-pyrimidin-2-ylsulfanylmethyl)-N-m-tolyl-[1,3,5]triazine-2,4-diamine
CAS 689762-76-3C16H17N7S
N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine chemical structure, C15H15N7S, CAS 700857-25-6
N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
CAS 700857-25-6C15H15N7S
N-(4-Methoxyphenyl)-6-[(pyrimidin-2-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine chemical structure, C15H15N7OS, CAS 669743-27-5
N-(4-Methoxyphenyl)-6-[(pyrimidin-2-ylsulfanyl)methyl]-1,3,5-triazine-2,4-diamine
CAS 669743-27-5C15H15N7OS
N-(3-Chloro-2-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine chemical structure, C15H14ClN7S, CAS 522660-42-0
N-(3-Chloro-2-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
CAS 522660-42-0C15H14ClN7S
N-(2-Ethoxyphenyl)-6-{[(4-methyl-2-pyrimidinyl)thio]methyl}-1,3,5-triazine-2,4-diamine chemical structure, C17H19N7OS, CAS 700857-86-9
N-(2-Ethoxyphenyl)-6-{[(4-methyl-2-pyrimidinyl)thio]methyl}-1,3,5-triazine-2,4-diamine
CAS 700857-86-9C17H19N7OS
6-[[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine chemical structure, C17H19N7OS, CAS 669743-29-7
6-[[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CAS 669743-29-7C17H19N7OS
6-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine chemical structure, C17H19N7S, CAS 522652-30-8
6-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CAS 522652-30-8C17H19N7S
Ethyl 4-amino-2-[({4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)thio]pyrimidine-5-carboxylate chemical structure, C18H20N8O3S, CAS 669744-25-6
Ethyl 4-amino-2-[({4-amino-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)thio]pyrimidine-5-carboxylate
CAS 669744-25-6C18H20N8O3S
4-Amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester chemical structure, C17H17FN8O2S, CAS 511514-30-0
4-Amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl ester
CAS 511514-30-0C17H17FN8O2S
6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine chemical structure, C18H21N7S, CAS 587011-44-7
6-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-N2-(4-ethylphenyl)-1,3,5-triazine-2,4-diamine
CAS 587011-44-7C18H21N7S
Ethyl 4-amino-2-[({4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)thio]pyrimidine-5-carboxylate chemical structure, C18H20N8O3S, CAS 669743-37-7
Ethyl 4-amino-2-[({4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)thio]pyrimidine-5-carboxylate
CAS 669743-37-7C18H20N8O3S
4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester chemical structure, C17H18N8O2S, CAS 700862-36-8
4-Amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
CAS 700862-36-8C17H18N8O2S