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Murcko scaffold

Ring system with 3 rings and 19 atoms

310 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 19
Chemicals: 310
With full pages: 38

Scaffold SMILES

O=C1NC(=S)SC1=Cc1cnc2ccccn2c1=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=Cc1cnc2ccccn2c1=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 97 to 144 of 310 chemicals

3-Allyl-5-((Z)-1-{2-[(3-isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H26N4O3S2, CAS 840460-92-6

3-Allyl-5-((Z)-1-{2-[(3-isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-thioxo-1,3-thiazolan-4-one

CAS 840460-92-6C₂₂H₂₆N₄O₃S₂

4-[(5Z)-5-({2-[(2-Methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid chemical structure, C20H22N4O4S2, CAS 608496-77-1

4-[(5Z)-5-({2-[(2-Methylpropyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

CAS 608496-77-1C₂₀H₂₂N₄O₄S₂

3-[(E)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(dipropylamino)-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C23H30N4O2S2, CAS 618073-62-4

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

CAS 618073-62-4C₂₃H₃₀N₄O₂S₂

2-(Dipropylamino)-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O3S2, CAS 840485-57-6

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

CAS 840485-57-6C₂₁H₂₆N₄O₃S₂

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-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, C20H24N4O4S2, CAS 489443-84-7

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

CAS 489443-84-7C₂₀H₂₄N₄O₄S₂

2-[(3-Hydroxypropyl)amino]-3-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H22N4O4S2, CAS 489443-95-0

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

CAS 489443-95-0C₁₉H₂₂N₄O₄S₂

2-(Allylamino)-3-((Z)-(3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C19H20N4O3S2, CAS 372499-68-8

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

CAS 372499-68-8C₁₉H₂₀N₄O₃S₂

2-(Allylamino)-9-methyl-3-((Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C16H14N4O2S2, CAS 372499-71-3

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

CAS 372499-71-3C₁₆H₁₄N₄O₂S₂

2-(Allylamino)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C19H20N4O2S2, CAS 361995-60-0

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

CAS 361995-60-0C₁₉H₂₀N₄O₂S₂

2-(Allylamino)-3-((Z)-(3-isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C20H22N4O2S2, CAS 373611-93-9

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

CAS 373611-93-9C₂₀H₂₂N₄O₂S₂

2-(Allylamino)-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, C20H22N4O3S2, CAS 361995-83-7

2-(Allylamino)-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 361995-83-7C₂₀H₂₂N₄O₃S₂

3-[(Z)-(3-Allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C16H14N4O2S2, CAS 374091-90-4

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

CAS 374091-90-4C₁₆H₁₄N₄O₂S₂

(5Z)-5-[[2-(2-Hydroxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C18H18N4O3S2, CAS 374094-29-8

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

CAS 374094-29-8C₁₈H₁₈N₄O₃S₂

2-{[2-(2-Hydroxyethoxy)ethyl]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, C19H22N4O4S2, CAS 488802-60-4

2-{[2-(2-Hydroxyethoxy)ethyl]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 488802-60-4C₁₉H₂₂N₄O₄S₂

2-(Allylamino)-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, C17H16N4O2S2, CAS 361995-48-4

2-(Allylamino)-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 361995-48-4C₁₇H₁₆N₄O₂S₂

2-(Allylamino)-3-((Z)-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C19H18N4O2S2, CAS 361995-89-3

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

CAS 361995-89-3C₁₉H₁₈N₄O₂S₂

2-(Ethylamino)-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C17H18N4O2S2, CAS 381717-37-9

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

CAS 381717-37-9C₁₇H₁₈N₄O₂S₂

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-9-methyl-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O4S2, CAS 487020-71-3

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

CAS 487020-71-3C₂₀H₂₄N₄O₄S₂

2-((2-Hydroxyethyl)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, C19H22N4O4S2, CAS 431993-29-2

2-((2-Hydroxyethyl)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 431993-29-2C₁₉H₂₂N₄O₄S₂

2-((2-Methoxyethyl)amino)-3-((Z)-(3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C19H22N4O4S2, CAS 378212-71-6

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

CAS 378212-71-6C₁₉H₂₂N₄O₄S₂

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one chemical structure, C17H18N4O4S2, CAS 487038-56-2

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

CAS 487038-56-2C₁₇H₁₈N₄O₄S₂

2-(Allylamino)-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H24N4O2S2, CAS 469879-33-2

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

CAS 469879-33-2C₂₁H₂₄N₄O₂S₂

2-[(2-Methoxyethyl)amino]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O4S2, CAS 488093-77-2

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

CAS 488093-77-2C₂₀H₂₄N₄O₄S₂

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H22N4O4S2, CAS 488096-61-3

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

CAS 488096-61-3C₁₉H₂₂N₄O₄S₂