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Murcko scaffold

Ring system with 3 rings and 13 atoms

39 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
13
Chemicals
39
With full pages
8
Scaffold SMILES

c1ncc2c3c(sc2n1)COCC3

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 c1ncc2c3c(sc2n1)COCC3

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 39 of 39 chemicals

6,6-Dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-4-ylamine chemical structure, C11H13N3OS, CAS 65413-58-3
6,6-Dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-4-ylamine
CAS 65413-58-3C11H13N3OS
2-(Isopentylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine chemical structure, C16H23N3OS2, CAS 355002-53-8
2-(Isopentylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS 355002-53-8C16H23N3OS2
6,6-Dimethyl-2,4-bis(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine chemical structure, C13H16N2OS3, CAS 327170-36-5
6,6-Dimethyl-2,4-bis(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS 327170-36-5C13H16N2OS3
Cambridge id 5342695 chemical structure, C11H16N6OS, CAS 330819-63-1
Cambridge id 5342695
CAS 330819-63-1C11H16N6OS
4-Hydrazinyl-5,8-dihydro-6,6-dimethyl-6H-pyrano(4',3':4,5)thieno(2,3-d)pyrimidine chemical structure, C11H14N4OS, CAS 65413-59-4
4-Hydrazinyl-5,8-dihydro-6,6-dimethyl-6H-pyrano(4',3':4,5)thieno(2,3-d)pyrimidine
CAS 65413-59-4C11H14N4OS
6,6-Dimethyl-2-[(2-methyl-2-propenyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine chemical structure, C15H19N3OS2, CAS 303042-21-9
6,6-Dimethyl-2-[(2-methyl-2-propenyl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS 303042-21-9C15H19N3OS2
Methyl [(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C14H17N3O3S2, CAS 327170-27-4
Methyl [(4-amino-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CAS 327170-27-4C14H17N3O3S2
2-Ethyl-6,6-dimethyl-4-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidine chemical structure, C17H22N2OS2, CAS 497241-91-5
2-Ethyl-6,6-dimethyl-4-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidine
CAS 497241-91-5C17H22N2OS2
N-(6,6-Dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine chemical structure, C17H26N4OS, CAS 497244-64-1
N-(6,6-Dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CAS 497244-64-1C17H26N4OS
6,6-Dimethyl-2,4-bis[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine chemical structure, C19H24N2OS3, CAS 306326-43-2
6,6-Dimethyl-2,4-bis[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS 306326-43-2C19H24N2OS3
Methyl 3-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)propanoate chemical structure, C16H20N2O3S3, CAS 713113-17-8
Methyl 3-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)propanoate
CAS 713113-17-8C16H20N2O3S3
Ethyl 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate chemical structure, C15H19N3O3S2, CAS 305383-70-4
Ethyl 2-((4-amino-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
CAS 305383-70-4C15H19N3O3S2
Ethyl 2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)oxy)acetate chemical structure, C16H20N2O4S2, CAS 312625-83-5
Ethyl 2-((6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)oxy)acetate
CAS 312625-83-5C16H20N2O4S2
2-[(2-Ethoxyethyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine chemical structure, C15H21N3O2S2, CAS 332145-28-5
2-[(2-Ethoxyethyl)sulfanyl]-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS 332145-28-5C15H21N3O2S2
2,4-Bis(isopropylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine chemical structure, C17H24N2OS3, CAS 312513-65-8
2,4-Bis(isopropylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS 312513-65-8C17H24N2OS3
2-(Heptylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine chemical structure, C18H27N3OS2, CAS 353763-01-6
2-(Heptylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS 353763-01-6C18H27N3OS2
6,6-Dimethyl-2,4-bis(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine chemical structure, C17H24N2OS3, CAS 303177-14-2
6,6-Dimethyl-2,4-bis(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
CAS 303177-14-2C17H24N2OS3
(4-Amino-6,6-dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-2-ylsulfanyl)-acetic acid chemical structure, C13H15N3O3S2, CAS 303051-29-8
(4-Amino-6,6-dimethyl-5,8-dihydro-6H-7-oxa-9-thia-1,3-diaza-fluoren-2-ylsulfanyl)-acetic acid
CAS 303051-29-8C13H15N3O3S2
2-Ethyl-6,6-dimethyl-4-propylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidine chemical structure, C16H22N2OS2, CAS 488801-01-0
2-Ethyl-6,6-dimethyl-4-propylsulfanyl-5,8-dihydropyrano[2,3]thieno[2,4-d]pyrimidine
CAS 488801-01-0C16H22N2OS2
Methyl [(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate chemical structure, C16H20N2O3S2, CAS 500194-47-8
Methyl [(2-ethyl-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate
CAS 500194-47-8C16H20N2O3S2
N-(2-Methoxyethyl)-6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine chemical structure, C17H25N3O2S2, CAS 847176-71-0
N-(2-Methoxyethyl)-6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine
CAS 847176-71-0C17H25N3O2S2
N-(2,2-Dimethoxyethyl)-6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine chemical structure, C18H27N3O3S2, CAS 848221-96-5
N-(2,2-Dimethoxyethyl)-6,6-dimethyl-2-propan-2-ylsulfanyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine
CAS 848221-96-5C18H27N3O3S2
N-(12,12-Dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-N',N'-dimethylethane-1,2-diamine chemical structure, C18H28N4OS2, CAS 5288-46-0
N-(12,12-Dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-N',N'-dimethylethane-1,2-diamine
CAS 5288-46-0C18H28N4OS2
6-Ethyl-2-(ethylsulfanyl)-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine chemical structure, C14H19N3OS2, CAS 6000-32-4
6-Ethyl-2-(ethylsulfanyl)-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
CAS 6000-32-4C14H19N3OS2