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Murcko scaffold

Ring system with 4 rings and 20 atoms

101 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 20
Chemicals: 101
With full pages: 20

Scaffold SMILES

O=c1c2c3c(sc2ncn1-c1ccccc1)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(sc2ncn1-c1ccccc1)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 48 of 101 chemicals

(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-2-methyl-3-(p-tolyl)- chemical structure, C18H18N2OS, CAS 34387-07-0

(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-2-methyl-3-(p-tolyl)-

CAS 34387-07-0C₁₈H₁₈N₂OS

(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-3-(4-fluorophenyl)-2-methyl- chemical structure, C17H15FN2OS, CAS 34387-08-1

(1)Benzothieno(2,3-d)pyrimidin-4-one, 5,6,7,8-tetrahydro-3-(4-fluorophenyl)-2-methyl-

CAS 34387-08-1C₁₇H₁₅FN₂OS

3-(4-Methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C18H18N2O2S, CAS 35973-88-7

3-(4-Methoxyphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 35973-88-7C₁₈H₁₈N₂O₂S

2-(Methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C17H16N2OS2, CAS 81136-38-1

2-(Methylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 81136-38-1C₁₇H₁₆N₂OS₂

2-Hydrazinyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C17H18N4O2S, CAS 351342-33-1

2-Hydrazinyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 351342-33-1C₁₇H₁₈N₄O₂S

2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one chemical structure, C16H16N4OS, CAS 142465-12-1

2-Hydrazino-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-4(3H)-one

CAS 142465-12-1C₁₆H₁₆N₄OS

3-(4-Methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C17H16N2O2S, CAS 83822-27-9

3-(4-Methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 83822-27-9C₁₇H₁₆N₂O₂S

3-(3-Methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C17H16N2O2S, CAS 62821-71-0

3-(3-Methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 62821-71-0C₁₇H₁₆N₂O₂S

2-Ethylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C18H18N2OS2, CAS 81136-39-2

2-Ethylsulfanyl-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 81136-39-2C₁₈H₁₈N₂OS₂

3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one chemical structure, C18H18N2O2S, CAS 374096-98-7

3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

CAS 374096-98-7C₁₈H₁₈N₂O₂S

3-(2-Methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H18N2OS2, CAS 378753-08-3

3-(2-Methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 378753-08-3C₁₈H₁₈N₂OS₂

Ethyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate chemical structure, C20H20N2O3S2, CAS 59898-81-6

Ethyl [(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

CAS 59898-81-6C₂₀H₂₀N₂O₃S₂

2-{[3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C18H16ClN3O2S2, CAS 353460-95-4

2-{[3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS 353460-95-4C₁₈H₁₆ClN₃O₂S₂

Methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate chemical structure, C19H17ClN2O3S2, CAS 613227-82-0

Methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate

CAS 613227-82-0C₁₉H₁₇ClN₂O₃S₂

2-{[3-(4-Methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C19H19N3O2S2, CAS 499124-07-1

2-{[3-(4-Methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS 499124-07-1C₁₉H₁₉N₃O₂S₂

Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate chemical structure, C20H20N2O3S2, CAS 312625-68-6

Methyl 2-{[4-(4-methylphenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate

CAS 312625-68-6C₂₀H₂₀N₂O₃S₂

2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C18H16BrN3O2S2, CAS 498546-95-5

2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS 498546-95-5C₁₈H₁₆BrN₃O₂S₂

Methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate chemical structure, C19H17BrN2O3S2, CAS 613228-42-5

Methyl 2-{[4-(4-bromophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate

CAS 613228-42-5C₁₉H₁₇BrN₂O₃S₂

N,N-Diethyl-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide chemical structure, C22H25N3O2S2, CAS 384374-22-5

N,N-Diethyl-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

CAS 384374-22-5C₂₂H₂₅N₃O₂S₂

2-{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide chemical structure, C20H21N3O3S2, CAS 380353-05-9

2-{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

CAS 380353-05-9C₂₀H₂₁N₃O₃S₂

3-(4-Methylphenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C21H22N2OS2, CAS 353507-01-4

3-(4-Methylphenyl)-2-[(2-methyl-2-propenyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 353507-01-4C₂₁H₂₂N₂OS₂

2-[(2-Methylprop-2-enyl)thio]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C20H20N2OS2, CAS 314042-07-4

2-[(2-Methylprop-2-enyl)thio]-3-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 314042-07-4C₂₀H₂₀N₂OS₂

3-(4-Methoxyphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one chemical structure, C18H18N2O2S2, CAS 310416-49-0

3-(4-Methoxyphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

CAS 310416-49-0C₁₈H₁₈N₂O₂S₂

Methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate chemical structure, C20H20N2O4S2, CAS 312625-73-3

Methyl 2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetate

CAS 312625-73-3C₂₀H₂₀N₂O₄S₂