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Murcko scaffold

Ring system with 5 rings and 32 atoms

27 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 32
Chemicals: 27
With full pages: 3

Scaffold SMILES

O=C1C(=Cc2c(N3CCCCC3)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(N3CCCCC3)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 27 of 27 chemicals

3-[(3-Benzyl-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, C26H26N4O2S2, CAS 378209-75-7

3-[(3-Benzyl-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 378209-75-7C₂₆H₂₆N₄O₂S₂

(Z)-3-Benzyl-5-((7-methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C25H24N4O2S2, CAS 380889-71-4

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

CAS 380889-71-4C₂₅H₂₄N₄O₂S₂

3-((Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-meth YL-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C26H26N4O2S2, CAS 361994-62-9

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

CAS 361994-62-9C₂₆H₂₆N₄O₂S₂

1-(3-{(Z)-[3-(4-Methoxybenzyl)-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, C26H25N5O4S2, CAS 608102-57-4

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

CAS 608102-57-4C₂₆H₂₅N₅O₄S₂

(5Z)-3-Benzyl-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C24H22N4O2S2, CAS 331949-05-4

(5Z)-3-Benzyl-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 331949-05-4C₂₄H₂₂N₄O₂S₂

(Z)-1-(3-((3-(4-Fluorobenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide chemical structure, C26H24FN5O3S2, CAS 608103-21-5

(Z)-1-(3-((3-(4-Fluorobenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

CAS 608103-21-5C₂₆H₂₄FN₅O₃S₂

1-(3-{(Z)-[3-(4-Methylbenzyl)-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, C26H25N5O3S2, CAS 608102-75-6

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

CAS 608102-75-6C₂₆H₂₅N₅O₃S₂

(Z)-1-(3-((3-Benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide chemical structure, C25H23N5O3S2, CAS 607704-23-4

(Z)-1-(3-((3-Benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

CAS 607704-23-4C₂₅H₂₃N₅O₃S₂

1-(3-{(Z)-[3-(4-Fluorobenzyl)-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, C25H22FN5O3S2, CAS 608103-20-4

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

CAS 608103-20-4C₂₅H₂₂FN₅O₃S₂

1-(3-{(Z)-[3-(4-Methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide chemical structure, C27H27N5O4S2, CAS 608102-58-5

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

CAS 608102-58-5C₂₇H₂₇N₅O₄S₂

3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(2-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H23FN4O2S2, CAS 7026-89-3

3-({3-[(4-Fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(2-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 7026-89-3C₂₅H₂₃FN₄O₂S₂

2-(3,5-Dimethylpiperidin-1-yl)-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H30N4O3S2, CAS 7026-72-4

2-(3,5-Dimethylpiperidin-1-yl)-3-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 7026-72-4C₂₈H₃₀N₄O₃S₂

3-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(3,5-dimethylpiperidin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C27H27ClN4O2S2, CAS 7026-82-6

3-({3-[(2-Chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(3,5-dimethylpiperidin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 7026-82-6C₂₇H₂₇ClN₄O₂S₂

7-Methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(2-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C27H28N4O2S2, CAS 7026-76-8

7-Methyl-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-(2-methylpiperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 7026-76-8C₂₇H₂₈N₄O₂S₂

3-{(Z)-[4-Oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H24N4O2S2, CAS 385419-98-7

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

CAS 385419-98-7C₂₅H₂₄N₄O₂S₂

1-{3-[(Z)-(3-Benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide chemical structure, C26H25N5O3S2, CAS 607704-24-5

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

CAS 607704-24-5C₂₆H₂₅N₅O₃S₂

3-[(Z)-(3-Benzyl-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, C25H24N4O2S2, CAS 374549-99-2

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

CAS 374549-99-2C₂₅H₂₄N₄O₂S₂

(Z)-5-((7-Methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one chemical structure, C26H26N4O2S2, CAS 378752-56-8

(Z)-5-((7-Methyl-4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(1-phenylethyl)-2-thioxothiazolidin-4-one

CAS 378752-56-8C₂₆H₂₆N₄O₂S₂

(5E)-3-Benzyl-5-[[2-(3,5-dimethylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C26H26N4O2S2, CAS 519013-58-2

(5E)-3-Benzyl-5-[[2-(3,5-dimethylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 519013-58-2C₂₆H₂₆N₄O₂S₂

Ethyl 1-{3-[(Z)-(3-benzyl-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, C27H26N4O4S2, CAS 615272-83-8

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

CAS 615272-83-8C₂₇H₂₆N₄O₄S₂

9-Methyl-2-(4-methylpiperidin-1-yl)-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C27H28N4O2S2, CAS 374093-11-5

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

CAS 374093-11-5C₂₇H₂₈N₄O₂S₂

1-(4-Oxo-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide chemical structure, C26H25N5O3S2, CAS 607704-37-0

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

CAS 607704-37-0C₂₆H₂₅N₅O₃S₂

Ethyl 1-{3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate chemical structure, C28H28N4O4S2, CAS 615271-64-2

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

CAS 615271-64-2C₂₈H₂₈N₄O₄S₂

Ethyl 1-(3-{(Z)-[3-(4-methylbenzyl)-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, C28H28N4O4S2, CAS 615272-99-6

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

CAS 615272-99-6C₂₈H₂₈N₄O₄S₂