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Murcko scaffold

Ring system with 4 rings and 25 atoms

148 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 148
With full pages: 37

Scaffold SMILES

O=C1NC(=S)SC1=Cc1c(N2CCNCC2)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(N2CCNCC2)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 148 chemicals

(5Z)-5-[[2-(4-Ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C22H27N5O2S2, CAS 381203-57-2

(5Z)-5-[[2-(4-Ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 381203-57-2C₂₂H₂₇N₅O₂S₂

2-(4-Ethyl-1-piperazinyl)-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C19H21N5O2S2, CAS 431986-38-8

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

CAS 431986-38-8C₁₉H₂₁N₅O₂S₂

3-((E)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-methyl-1-piperazinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C18H19N5O2S2, CAS 324566-58-7

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

CAS 324566-58-7C₁₈H₁₉N₅O₂S₂

3-[(E)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H25N5O2S2, CAS 380882-30-4

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

CAS 380882-30-4C₂₁H₂₅N₅O₂S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H23N5O2S2, CAS 477735-26-5

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

CAS 477735-26-5C₂₁H₂₃N₅O₂S₂

2-(4-Ethyl-1-piperazinyl)-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, C20H23N5O2S2, CAS 380581-30-6

2-(4-Ethyl-1-piperazinyl)-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 380581-30-6C₂₀H₂₃N₅O₂S₂

9-Methyl-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methy L]-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C19H21N5O2S2, CAS 361996-53-4

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

CAS 361996-53-4C₁₉H₂₁N₅O₂S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C22H25N5O2S2, CAS 380582-47-8

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

CAS 380582-47-8C₂₂H₂₅N₅O₂S₂

2-(4-Ethylpiperazin-1-yl)-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H27N5O2S2, CAS 371225-91-1

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

CAS 371225-91-1C₂₂H₂₇N₅O₂S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C20H21N5O2S2, CAS 487019-81-8

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

CAS 487019-81-8C₂₀H₂₁N₅O₂S₂

(Z)-Ethyl 4-(9-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate chemical structure, C21H23N5O4S2, CAS 607692-37-5

(Z)-Ethyl 4-(9-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate

CAS 607692-37-5C₂₁H₂₃N₅O₄S₂

(Z)-Ethyl 4-(3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate chemical structure, C20H21N5O4S2, CAS 607692-35-3

(Z)-Ethyl 4-(3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazine-1-carboxylate

CAS 607692-35-3C₂₀H₂₁N₅O₄S₂

(Z)-5-((2-(4-(2-Hydroxyethyl)piperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one chemical structure, C22H27N5O3S2, CAS 496771-99-4

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

CAS 496771-99-4C₂₂H₂₇N₅O₃S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H23N5O2S2, CAS 374613-58-8

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

CAS 374613-58-8C₂₁H₂₃N₅O₂S₂

3-[(Z)-(3-Isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-M ethyl-2-(4-methyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H25N5O2S2, CAS 374095-80-4

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

CAS 374095-80-4C₂₁H₂₅N₅O₂S₂

7-Methyl-2-(4-methyl-1-piperazinyl)-3-((Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C18H19N5O2S2, CAS 477734-62-6

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

CAS 477734-62-6C₁₈H₁₉N₅O₂S₂

2-(4-Ethyl-1-piperazinyl)-3-((Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C21H25N5O2S2, CAS 369399-97-3

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

CAS 369399-97-3C₂₁H₂₅N₅O₂S₂

9-Methyl-3-{(Z)-[3-(3-methylbutyl)-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, C23H29N5O2S2, CAS 487038-35-7

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

CAS 487038-35-7C₂₃H₂₉N₅O₂S₂

(Z)-5-((2-(4-(2-Hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one chemical structure, C22H27N5O3S2, CAS 488853-34-5

(Z)-5-((2-(4-(2-Hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopropyl-2-thioxothiazolidin-4-one

CAS 488853-34-5C₂₂H₂₇N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H25N5O3S2, CAS 488137-99-1

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

CAS 488137-99-1C₂₂H₂₅N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H31N5O3S2, CAS 499119-11-8

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

CAS 499119-11-8C₂₄H₃₁N₅O₃S₂

2-[4-(2-Hydroxyethyl)piperazin-1-yl]-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H29N5O3S2, CAS 489465-77-2

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

CAS 489465-77-2C₂₃H₂₉N₅O₃S₂

3-((Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C23H29N5O2S2, CAS 378773-80-9

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

CAS 378773-80-9C₂₃H₂₉N₅O₂S₂

2-(4-Methyl-1-piperazinyl)-3-[(E)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C20H23N5O2S2, CAS 381209-18-3

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

CAS 381209-18-3C₂₀H₂₃N₅O₂S₂