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Murcko scaffold

Ring system with 4 rings and 21 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
13
With full pages
2
Scaffold SMILES

O=c1c2c3c(sc2ncn1Cc1ccccc1)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 O=c1c2c3c(sc2ncn1Cc1ccccc1)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 13 of 13 chemicals

3-Benzyl-6,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one chemical structure, C22H24N2O2S2, CAS 351341-33-8
3-Benzyl-6,6-dimethyl-2-(2-methylprop-2-enylsulfanyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
CAS 351341-33-8C22H24N2O2S2
2-[(3-Benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide chemical structure, C20H21N3O3S2, CAS 5683-84-1
2-[(3-Benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CAS 5683-84-1C20H21N3O3S2
3-Benzyl-6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C19H20N2O2S2, CAS 352445-72-8
3-Benzyl-6,6-dimethyl-2-(methylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 352445-72-8C19H20N2O2S2
3-Benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C20H22N2O2S2, CAS 327166-79-0
3-Benzyl-2-(ethylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 327166-79-0C20H22N2O2S2
Methyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C21H22N2O4S2, CAS 351341-34-9
Methyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CAS 351341-34-9C21H22N2O4S2
Pentyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C25H30N2O4S2, CAS 346727-51-3
Pentyl [(3-benzyl-6,6-dimethyl-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CAS 346727-51-3C25H30N2O4S2
3-Benzyl-2-(isopentylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C23H28N2O2S2, CAS 327168-16-1
3-Benzyl-2-(isopentylsulfanyl)-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 327168-16-1C23H28N2O2S2
2-(Allylsulfanyl)-3-benzyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C21H22N2O2S2, CAS 351341-30-5
2-(Allylsulfanyl)-3-benzyl-6,6-dimethyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 351341-30-5C21H22N2O2S2
3-Benzyl-6-ethyl-6-methyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C22H26N2O2S2, CAS 351441-28-6
3-Benzyl-6-ethyl-6-methyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 351441-28-6C22H26N2O2S2
Methyl 2-[(3-benzyl-4-oxo-6-propan-2-yl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C22H24N2O4S2, CAS 370577-15-4
Methyl 2-[(3-benzyl-4-oxo-6-propan-2-yl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]acetate
CAS 370577-15-4C22H24N2O4S2
3-Benzyl-6-propan-2-yl-2-propan-2-ylsulfanyl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-4-one chemical structure, C22H26N2O2S2, CAS 371225-50-2
3-Benzyl-6-propan-2-yl-2-propan-2-ylsulfanyl-6,8-dihydro-5H-pyrano[2,3]thieno[2,4-b]pyrimidin-4-one
CAS 371225-50-2C22H26N2O2S2
Methyl 2-((3-benzyl-6-ethyl-6-methyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate chemical structure, C22H24N2O4S2, CAS 353767-51-8
Methyl 2-((3-benzyl-6-ethyl-6-methyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
CAS 353767-51-8C22H24N2O4S2
3-Benzyl-6,6-dimethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one chemical structure, C21H24N2O2S2, CAS 351341-36-1
3-Benzyl-6,6-dimethyl-2-(propylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
CAS 351341-36-1C21H24N2O2S2