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Murcko scaffold

Ring system with 4 rings and 21 atoms

33 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
33
With full pages
7
Scaffold SMILES

O=c1c2c3c(sc2ncn1Cc1ccccc1)CCCC3

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)CCCC3

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 33 of 33 chemicals

(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-3-benzyl-2-methyl- chemical structure, C18H18N2OS, CAS 35973-85-4
(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-3-benzyl-2-methyl-
CAS 35973-85-4C18H18N2OS
4-[(4-Oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoic acid chemical structure, C18H16N2O3S, CAS 446831-17-0
4-[(4-Oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoic acid
CAS 446831-17-0C18H16N2O3S
3-(2-Chlorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C17H15ClN2OS, CAS 146070-98-6
3-(2-Chlorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 146070-98-6C17H15ClN2OS
3-[(4-Chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C17H15ClN2OS, CAS 146070-99-7
3-[(4-Chlorophenyl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 146070-99-7C17H15ClN2OS
3-Benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C18H18N2OS2, CAS 81144-25-4
3-Benzyl-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 81144-25-4C18H18N2OS2
3-Benzyl-2-hydrazinyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C17H18N4OS, CAS 337350-75-1
3-Benzyl-2-hydrazinyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 337350-75-1C17H18N4OS
3-(4-Fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C17H15FN2OS, CAS 146071-05-8
3-(4-Fluorobenzyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 146071-05-8C17H15FN2OS
3-Benzyl-2-(ethylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C19H20N2OS2, CAS 331964-36-4
3-Benzyl-2-(ethylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 331964-36-4C19H20N2OS2
Ethyl [(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C21H22N2O3S2, CAS 59898-80-5
Ethyl [(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CAS 59898-80-5C21H22N2O3S2
2-[(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide chemical structure, C19H19N3O2S2, CAS 327170-81-0
2-[(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CAS 327170-81-0C19H19N3O2S2
3-Benzyl-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C21H22N2OS2, CAS 351341-55-4
3-Benzyl-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 351341-55-4C21H22N2OS2
3-Benzyl-2-[(2-oxopropyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H20N2O2S2, CAS 496027-62-4
3-Benzyl-2-[(2-oxopropyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 496027-62-4C20H20N2O2S2
3-Benzyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C20H18N2OS2, CAS 337349-70-9
3-Benzyl-2-prop-2-ynylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 337349-70-9C20H18N2OS2
3-Benzyl-2-(2-ethoxyethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C21H24N2O2S2, CAS 351440-92-1
3-Benzyl-2-(2-ethoxyethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 351440-92-1C21H24N2O2S2
3-Benzyl-2-(butylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C21H24N2OS2, CAS 331964-45-5
3-Benzyl-2-(butylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 331964-45-5C21H24N2OS2
3-Benzyl-2-(pentylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C22H26N2OS2, CAS 353762-73-9
3-Benzyl-2-(pentylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 353762-73-9C22H26N2OS2
3-Benzyl-2-(heptylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C24H30N2OS2, CAS 351341-56-5
3-Benzyl-2-(heptylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 351341-56-5C24H30N2OS2
3-Benzyl-2-(propylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H22N2OS2, CAS 337349-10-7
3-Benzyl-2-(propylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 337349-10-7C20H22N2OS2
3-Benzyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C20H22N2OS2, CAS 351441-08-2
3-Benzyl-2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 351441-08-2C20H22N2OS2
3-Benzyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C20H20N2OS2, CAS 330826-50-1
3-Benzyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 330826-50-1C20H20N2OS2
3-(4-Chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H17ClN2OS, CAS 329227-50-1
3-(4-Chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 329227-50-1C18H17ClN2OS
3-[(2-Chlorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C18H17ClN2OS, CAS 370852-03-2
3-[(2-Chlorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CAS 370852-03-2C18H17ClN2OS
3-(3-Chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H17ClN2OS, CAS 433690-07-4
3-(3-Chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CAS 433690-07-4C18H17ClN2OS
Methyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoate chemical structure, C20H20N2O3S, CAS 459419-46-6
Methyl 4-[(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methyl]benzoate
CAS 459419-46-6C20H20N2O3S