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Murcko scaffold

Ring system with 4 rings and 26 atoms

29 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 26
Chemicals: 29
With full pages: 2

Scaffold SMILES

O=C1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)NC2=O)CCN1

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=C1CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)NC2=O)CCN1

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 29 of 29 chemicals

Methyl (1-{3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate chemical structure, C25H29N5O5S2, CAS 4657-18-5

Methyl (1-{3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate

CAS 4657-18-5C₂₅H₂₉N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H23N5O5S2, CAS 1025019-69-5

(Z)-Methyl 2-(1-(3-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025019-69-5C₂₂H₂₃N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O6S2, CAS 610754-90-0

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

CAS 610754-90-0C₂₃H₂₅N₅O₆S₂

(Z)-Methyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O6S2, CAS 1025355-94-5

(Z)-Methyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025355-94-5C₂₃H₂₅N₅O₆S₂

(Z)-Methyl 2-(3-oxo-1-(4-oxo-3-((4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazin-2-yl)acetate chemical structure, C22H23N5O5S2, CAS 1037751-41-9

(Z)-Methyl 2-(3-oxo-1-(4-oxo-3-((4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)piperazin-2-yl)acetate

CAS 1037751-41-9C₂₂H₂₃N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H23N5O5S2, CAS 1025025-59-5

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

CAS 1025025-59-5C₂₃H₂₃N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H23N5O6S2, CAS 1031301-02-6

(Z)-Methyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031301-02-6C₂₂H₂₃N₅O₆S₂

(Z)-Methyl 2-(1-(9-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C21H21N5O5S2, CAS 1025020-05-6

(Z)-Methyl 2-(1-(9-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025020-05-6C₂₁H₂₁N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H23N5O5S2, CAS 1025360-63-7

(Z)-Methyl 2-(1-(3-((3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025360-63-7C₂₂H₂₃N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-isobutyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O5S2, CAS 1031318-95-2

(Z)-Methyl 2-(1-(3-((3-isobutyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031318-95-2C₂₃H₂₅N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C24H25N5O5S2, CAS 1031325-18-4

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

CAS 1031325-18-4C₂₄H₂₅N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H21N5O5S2, CAS 1031325-66-2

(Z)-Methyl 2-(1-(3-((3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031325-66-2C₂₂H₂₁N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-(sec-butyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O5S2, CAS 1031325-78-6

(Z)-Methyl 2-(1-(3-((3-(sec-butyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031325-78-6C₂₃H₂₅N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C24H27N5O6S2, CAS 1031358-91-4

(Z)-Ethyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031358-91-4C₂₄H₂₇N₅O₆S₂

(Z)-Methyl 2-(1-(3-((3-(3-ethoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C24H27N5O6S2, CAS 1031361-91-7

(Z)-Methyl 2-(1-(3-((3-(3-ethoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031361-91-7C₂₄H₂₇N₅O₆S₂

(Z)-Methyl 2-(1-(9-methyl-4-oxo-3-((4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O5S2, CAS 1025362-78-0

(Z)-Methyl 2-(1-(9-methyl-4-oxo-3-((4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)methyl)-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025362-78-0C₂₃H₂₅N₅O₅S₂

(Z)-Ethyl 2-(1-(7-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H23N5O5S2, CAS 1031361-94-0

(Z)-Ethyl 2-(1-(7-methyl-3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031361-94-0C₂₂H₂₃N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-(3-methoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O6S2, CAS 1031208-63-5

(Z)-Methyl 2-(1-(3-((3-(3-methoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1031208-63-5C₂₃H₂₅N₅O₆S₂

(Z)-Methyl 2-(1-(3-((3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C23H25N5O5S2, CAS 1025357-95-2

(Z)-Methyl 2-(1-(3-((3-isopropyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025357-95-2C₂₃H₂₅N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C22H23N5O5S2, CAS 1031784-09-4

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

CAS 1031784-09-4C₂₂H₂₃N₅O₅S₂

(Z)-Ethyl 2-(1-(3-((3-(2-methoxyethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C24H27N5O6S2, CAS 1025025-67-5

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

CAS 1025025-67-5C₂₄H₂₇N₅O₆S₂

(Z)-Methyl 2-(1-(3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C20H19N5O5S2, CAS 1025363-74-9

(Z)-Methyl 2-(1-(3-((3-methyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025363-74-9C₂₀H₁₉N₅O₅S₂

(Z)-Methyl 2-(1-(3-((3-(3-methoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C24H27N5O6S2, CAS 866601-96-9

(Z)-Methyl 2-(1-(3-((3-(3-methoxypropyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 866601-96-9C₂₄H₂₇N₅O₆S₂

(Z)-Methyl 2-(1-(3-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate chemical structure, C21H21N5O5S2, CAS 1025360-05-7

(Z)-Methyl 2-(1-(3-((3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)-3-oxopiperazin-2-yl)acetate

CAS 1025360-05-7C₂₁H₂₁N₅O₅S₂