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Murcko scaffold

Ring system with 5 rings and 32 atoms

49 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 32
Chemicals: 49
With full pages: 9

Scaffold SMILES

O=C1C(=Cc2c(N3CCNCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1

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=C1C(=Cc2c(N3CCNCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1

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 49 chemicals

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H25N5O2S2, CAS 442867-68-7

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 442867-68-7C₂₅H₂₅N₅O₂S₂

3-{(Z)-[3-(4-Methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O3S2, CAS 487020-47-3

3-{(Z)-[3-(4-Methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 487020-47-3C₂₆H₂₇N₅O₃S₂

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24FN5O2S2, CAS 488100-30-7

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 488100-30-7C₂₅H₂₄FN₅O₂S₂

3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24ClN5O2S2, CAS 488717-60-8

3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 488717-60-8C₂₅H₂₄ClN₅O₂S₂

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O3S2, CAS 489422-61-9

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 489422-61-9C₂₆H₂₇N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O3S2, CAS 488841-82-3

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

CAS 488841-82-3C₂₆H₂₇N₅O₃S₂

3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24ClN5O2S2, CAS 489406-04-4

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

CAS 489406-04-4C₂₅H₂₄ClN₅O₂S₂

3-{(Z)-[3-(4-Methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H25N5O2S2, CAS 489424-50-2

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

CAS 489424-50-2C₂₅H₂₅N₅O₂S₂

3-((Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C25H25N5O3S2, CAS 374616-74-7

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

CAS 374616-74-7C₂₅H₂₅N₅O₃S₂

3-((Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-(2-hydroxyethyl)-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C26H27N5O3S2, CAS 442565-93-7

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

CAS 442565-93-7C₂₆H₂₇N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C27H29N5O3S2, CAS 487035-90-5

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-9-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 487035-90-5C₂₇H₂₉N₅O₃S₂

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24FN5O2S2, CAS 488096-65-7

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

CAS 488096-65-7C₂₅H₂₄FN₅O₂S₂

3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24ClN5O3S2, CAS 488109-18-8

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

CAS 488109-18-8C₂₅H₂₄ClN₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C27H29N5O3S2, CAS 497241-14-2

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 497241-14-2C₂₇H₂₉N₅O₃S₂

9-Methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O2S2, CAS 442868-26-0

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

CAS 442868-26-0C₂₆H₂₇N₅O₂S₂

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24FN5O3S2, CAS 497242-63-4

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

CAS 497242-63-4C₂₅H₂₄FN₅O₃S₂

7-Methyl-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O2S2, CAS 500105-82-8

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

CAS 500105-82-8C₂₆H₂₇N₅O₂S₂

3-{(Z)-[3-(4-Methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H27N5O3S2, CAS 500195-72-2

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

CAS 500195-72-2C₂₆H₂₇N₅O₃S₂

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H26FN5O3S2, CAS 488793-09-5

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 488793-09-5C₂₆H₂₆FN₅O₃S₂

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H26FN5O3S2, CAS 497244-51-6

3-{(Z)-[3-(4-Fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 497244-51-6C₂₆H₂₆FN₅O₃S₂

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-meth YL-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C25H25N5O2S2, CAS 361996-68-1

3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-meth YL-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 361996-68-1C₂₅H₂₅N₅O₂S₂

9-Methyl-2-(4-methyl-1-piperazinyl)-3-((Z)-(4-oxo-3-(1-phenylethyl)-2-TH ioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C26H27N5O2S2, CAS 361996-74-9

9-Methyl-2-(4-methyl-1-piperazinyl)-3-((Z)-(4-oxo-3-(1-phenylethyl)-2-TH ioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one

CAS 361996-74-9C₂₆H₂₇N₅O₂S₂

2-(4-Ethylpiperazin-1-yl)-3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H26FN5O2S2, CAS 488802-36-4

2-(4-Ethylpiperazin-1-yl)-3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 488802-36-4C₂₆H₂₆FN₅O₂S₂

3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H22ClN5O2S2, CAS 488858-31-7

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

CAS 488858-31-7C₂₄H₂₂ClN₅O₂S₂