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Murcko scaffold

Ring system with 4 rings and 27 atoms

15 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 27
Chemicals: 15
With full pages: 4

Scaffold SMILES

O=C1NC(=S)SC1=Cc1c(NCc2ccccc2)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(NCc2ccccc2)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 15 of 15 chemicals

2-(Benzylamino)-9-methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H18N4O2S2, CAS 384797-00-6

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

CAS 384797-00-6C₂₁H₁₈N₄O₂S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[benzyl(methyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H22N4O2S2, CAS 361996-17-0

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

CAS 361996-17-0C₂₄H₂₂N₄O₂S₂

2-[Benzyl(methyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H26N4O3S2, CAS 373376-79-5

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

CAS 373376-79-5C₂₅H₂₆N₄O₃S₂

2-(Benzylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H20N4O2S2, CAS 384796-35-4

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

CAS 384796-35-4C₂₂H₂₀N₄O₂S₂

4-(5-((2-(Benzyl(methyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid chemical structure, C24H22N4O4S2, CAS 469879-37-6

4-(5-((2-(Benzyl(methyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid

CAS 469879-37-6C₂₄H₂₂N₄O₄S₂

2-(Benzylamino)-3-((Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C23H22N4O2S2, CAS 442552-52-5

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

CAS 442552-52-5C₂₃H₂₂N₄O₂S₂

2-(Benzylamino)-3-((Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C22H20N4O2S2, CAS 380546-62-3

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

CAS 380546-62-3C₂₂H₂₀N₄O₂S₂

2-(Benzylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H18N4O2S2, CAS 432009-21-7

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

CAS 432009-21-7C₂₁H₁₈N₄O₂S₂

2-[Benzyl(methyl)amino]-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H22N4O2S2, CAS 373368-16-2

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

CAS 373368-16-2C₂₃H₂₂N₄O₂S₂

2-(Benzyl(methyl)amino)-3-((Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C25H26N4O2S2, CAS 361996-23-8

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

CAS 361996-23-8C₂₅H₂₆N₄O₂S₂

2-[(4-Methoxybenzyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H26N4O4S2, CAS 489466-40-2

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

CAS 489466-40-2C₂₅H₂₆N₄O₄S₂

(Z)-3-Methyl-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C22H20N4O2S2, CAS 381695-89-2

(Z)-3-Methyl-5-((9-methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one

CAS 381695-89-2C₂₂H₂₀N₄O₂S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(4-methoxybenzyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H28N4O4S2, CAS 487022-48-0

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

CAS 487022-48-0C₂₆H₂₈N₄O₄S₂

(Z)-5-((9-Methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one chemical structure, C24H24N4O2S2, CAS 381183-83-1

(Z)-5-((9-Methyl-4-oxo-2-((1-phenylethyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one

CAS 381183-83-1C₂₄H₂₄N₄O₂S₂

2-[(4-Methoxybenzyl)amino]-9-methyl-3-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C22H20N4O3S2, CAS 617693-91-1

2-[(4-Methoxybenzyl)amino]-9-methyl-3-[(E)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 617693-91-1C₂₂H₂₀N₄O₃S₂