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Murcko scaffold

Ring system with 4 rings and 25 atoms

102 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 102
With full pages: 20

Scaffold SMILES

O=C1NC(=S)SC1=Cc1c(N2CCCCC2)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(N2CCCCC2)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 48 of 102 chemicals

3-Methyl-5-[(9-methyl-4-oxo-2-piperidyl(5-hydropyridino[1,2-a]pyrimidin-3-yl)) methylene]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C19H20N4O2S2, CAS 328262-73-3

3-Methyl-5-[(9-methyl-4-oxo-2-piperidyl(5-hydropyridino[1,2-a]pyrimidin-3-yl)) methylene]-2-thioxo-1,3-thiazolidin-4-one

CAS 328262-73-3C₁₉H₂₀N₄O₂S₂

7-Methyl-3-[(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H20N4O2S2, CAS 380585-81-9

7-Methyl-3-[(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 380585-81-9C₁₉H₂₀N₄O₂S₂

(Z)-3-Allyl-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C22H24N4O2S2, CAS 378758-11-3

(Z)-3-Allyl-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one

CAS 378758-11-3C₂₂H₂₄N₄O₂S₂

3-[(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28N4O2S2, CAS 378211-52-0

3-[(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 378211-52-0C₂₃H₂₈N₄O₂S₂

9-Methyl-3-((Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methy L)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C20H22N4O2S2, CAS 361994-42-5

9-Methyl-3-((Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methy L)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 361994-42-5C₂₀H₂₂N₄O₂S₂

3-((Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C22H26N4O2S2, CAS 442552-54-7

3-((Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 442552-54-7C₂₂H₂₆N₄O₂S₂

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C22H26N4O2S2, CAS 361994-16-3

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 361994-16-3C₂₂H₂₆N₄O₂S₂

3-((Z)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C19H20N4O2S2, CAS 361994-05-0

3-((Z)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 361994-05-0C₁₉H₂₀N₄O₂S₂

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H24N4O2S2, CAS 361994-10-7

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperidinyl)-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 361994-10-7C₂₁H₂₄N₄O₂S₂

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28N4O2S2, CAS 361994-52-7

3-[(Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 361994-52-7C₂₃H₂₈N₄O₂S₂

Ethyl 1-{9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate chemical structure, C22H24N4O4S2, CAS 615271-92-6

Ethyl 1-{9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

CAS 615271-92-6C₂₂H₂₄N₄O₄S₂

Ethyl 1-{3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate chemical structure, C21H22N4O4S2, CAS 615272-63-4

Ethyl 1-{3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

CAS 615272-63-4C₂₁H₂₂N₄O₄S₂

(Z)-4-(4-Oxo-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-3-yl)butanoic acid chemical structure, C21H22N4O4S2, CAS 438244-23-6

(Z)-4-(4-Oxo-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-3-yl)butanoic acid

CAS 438244-23-6C₂₁H₂₂N₄O₄S₂

3-((Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C21H24N4O2S2, CAS 381710-63-0

3-((Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 381710-63-0C₂₁H₂₄N₄O₂S₂

9-Methyl-2-(4-methyl-1-piperidinyl)-3-((Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C24H30N4O2S2, CAS 442552-53-6

9-Methyl-2-(4-methyl-1-piperidinyl)-3-((Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 442552-53-6C₂₄H₃₀N₄O₂S₂

(Z)-4-(5-((9-Methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid chemical structure, C22H24N4O4S2, CAS 438244-17-8

(Z)-4-(5-((9-Methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid

CAS 438244-17-8C₂₂H₂₄N₄O₄S₂

3-{(Z)-[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H24N4O3S2, CAS 433324-71-1

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

CAS 433324-71-1C₂₁H₂₄N₄O₃S₂

1-{3-[(Z)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide chemical structure, C19H19N5O3S2, CAS 607702-47-6

1-{3-[(Z)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

CAS 607702-47-6C₁₉H₁₉N₅O₃S₂

3-((Z)-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C20H22N4O2S2, CAS 381178-97-8

3-((Z)-(4-Oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 381178-97-8C₂₀H₂₂N₄O₂S₂

(Z)-3-(3-Methoxypropyl)-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C23H28N4O3S2, CAS 381695-58-5

(Z)-3-(3-Methoxypropyl)-5-((7-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one

CAS 381695-58-5C₂₃H₂₈N₄O₃S₂

3-((Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C21H24N4O2S2, CAS 442552-50-3

3-((Z)-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 442552-50-3C₂₁H₂₄N₄O₂S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-piperidin-1-yl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H20N4O2S2, CAS 385394-88-7

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

CAS 385394-88-7C₁₉H₂₀N₄O₂S₂

(Z)-3-Methyl-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C18H18N4O2S2, CAS 488715-81-7

(Z)-3-Methyl-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one

CAS 488715-81-7C₁₈H₁₈N₄O₂S₂

1-{9-Methyl-4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide chemical structure, C24H29N5O3S2, CAS 607703-22-0

1-{9-Methyl-4-oxo-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

CAS 607703-22-0C₂₄H₂₉N₅O₃S₂