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Murcko scaffold

Ring system with 4 rings and 29 atoms

17 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 29
Chemicals: 17
With full pages: 5

Scaffold SMILES

O=C1NC(=S)SC1=Cc1c(NCCCN2CCOCC2)nc2ccccn2c1=O

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=C1NC(=S)SC1=Cc1c(NCCCN2CCOCC2)nc2ccccn2c1=O

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 17 of 17 chemicals

9-Methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H23N5O3S2, CAS 433316-16-6

9-Methyl-2-{[3-(morpholin-4-yl)propyl]amino}-3-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 433316-16-6C₂₀H₂₃N₅O₃S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H25N5O3S2, CAS 840482-41-9

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 840482-41-9C₂₁H₂₅N₅O₃S₂

3-[(E)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C20H23N5O3S2, CAS 371127-95-6

3-[(E)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 371127-95-6C₂₀H₂₃N₅O₃S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H27N5O3S2, CAS 384794-90-5

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 384794-90-5C₂₂H₂₇N₅O₃S₂

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H27N5O3S2, CAS 442566-98-5

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 442566-98-5C₂₂H₂₇N₅O₃S₂

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H29N5O3S2, CAS 442566-95-2

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 442566-95-2C₂₃H₂₉N₅O₃S₂

9-Methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H25N5O3S2, CAS 442566-94-1

9-Methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 442566-94-1C₂₁H₂₅N₅O₃S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C22H25N5O3S2, CAS 442565-96-0

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 442565-96-0C₂₂H₂₅N₅O₃S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C23H27N5O3S2, CAS 505079-35-6

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(4-morpholinyl)propyl]amino}-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 505079-35-6C₂₃H₂₇N₅O₃S₂

3-((Z)-(3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)met hyl)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimid IN-4-one chemical structure, C24H31N5O4S2, CAS 477735-20-9

3-((Z)-(3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)met hyl)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimid IN-4-one

CAS 477735-20-9C₂₄H₃₁N₅O₄S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H31N5O4S2, CAS 488705-26-6

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(morpholin-4-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 488705-26-6C₂₄H₃₁N₅O₄S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H29N5O3S2, CAS 841210-67-1

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 841210-67-1C₂₃H₂₉N₅O₃S₂

3-((Z)-(3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)meth YL)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimidi N-4-one chemical structure, C23H29N5O4S2, CAS 618073-61-3

3-((Z)-(3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)meth YL)-9-methyl-2-((3-(4-morpholinyl)propyl)amino)-4H-pyrido(1,2-A)pyrimidi N-4-one

CAS 618073-61-3C₂₃H₂₉N₅O₄S₂

9-Methyl-2-{[3-(4-morpholinyl)propyl]amino}-3-[(Z)-(4-oxo-3-propyl-2-thi oxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C23H29N5O3S2, CAS 477735-27-6

9-Methyl-2-{[3-(4-morpholinyl)propyl]amino}-3-[(Z)-(4-oxo-3-propyl-2-thi oxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 477735-27-6C₂₃H₂₉N₅O₃S₂

2-[(3-Morpholin-4-ylpropyl)amino]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H27N5O3S2, CAS 843633-99-8

2-[(3-Morpholin-4-ylpropyl)amino]-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 843633-99-8C₂₂H₂₇N₅O₃S₂

3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H27N5O4S2, CAS 498569-44-1

3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 498569-44-1C₂₂H₂₇N₅O₄S₂

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H29N5O3S2, CAS 384798-84-9

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-morpholin-4-ylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 384798-84-9C₂₃H₂₉N₅O₃S₂