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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 49 to 96 of 310 chemicals

4-(5-((2-(Ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid chemical structure, C18H18N4O4S2, CAS 469879-40-1

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

CAS 469879-40-1C₁₈H₁₈N₄O₄S₂

(5Z)-5-[[2-(2-Methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C19H20N4O3S2, CAS 378756-22-0

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

CAS 378756-22-0C₁₉H₂₀N₄O₃S₂

2-[(3-Hydroxypropyl)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, C20H24N4O4S2, CAS 489399-08-8

2-[(3-Hydroxypropyl)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 489399-08-8C₂₀H₂₄N₄O₄S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H22N4O2S2, CAS 608497-01-4

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

CAS 608497-01-4C₁₉H₂₂N₄O₂S₂

9-Methyl-2-[(2-methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H28N4O2S2, CAS 608497-04-7

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

CAS 608497-04-7C₂₂H₂₈N₄O₂S₂

3-[(Z)-(3-Methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C17H18N4O2S2, CAS 608496-56-6

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

CAS 608496-56-6C₁₇H₁₈N₄O₂S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O3S2, CAS 799832-81-8

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

CAS 799832-81-8C₂₁H₂₆N₄O₃S₂

3-Allyl-5-{(Z)-1-[2-(isobutylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C20H22N4O2S2, CAS 608497-10-5

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

CAS 608497-10-5C₂₀H₂₂N₄O₂S₂

3-{(Z)-[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O3S2, CAS 608496-68-0

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

CAS 608496-68-0C₂₀H₂₄N₄O₃S₂

5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C20H24N4O3S2, CAS 799833-27-5

5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-methyl-2-thioxo-1,3-thiazolan-4-one

CAS 799833-27-5C₂₀H₂₄N₄O₃S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H22N4O2S2, CAS 608497-45-6

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

CAS 608497-45-6C₁₉H₂₂N₄O₂S₂

2-[(2-Methylpropyl)amino]-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 608496-60-2

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

CAS 608496-60-2C₂₁H₂₆N₄O₂S₂

3-Isobutyl-5-{(Z)-1-[2-(isobutylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C21H26N4O2S2, CAS 608497-08-1

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

CAS 608497-08-1C₂₁H₂₆N₄O₂S₂

3-{(Z)-[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O3S2, CAS 608497-56-9

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

CAS 608497-56-9C₂₁H₂₆N₄O₃S₂

3-[(Z)-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O2S2, CAS 608497-05-8

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

CAS 608497-05-8C₂₃H₃₀N₄O₂S₂

5-{(Z)-1-[2-(Isobutylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-isopropyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C20H24N4O2S2, CAS 608497-07-0

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

CAS 608497-07-0C₂₀H₂₄N₄O₂S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 608497-03-6

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

CAS 608497-03-6C₂₁H₂₆N₄O₂S₂

3-Allyl-5-((Z)-1-{2-[(3-isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H26N4O3S2, CAS 835907-80-7

3-Allyl-5-((Z)-1-{2-[(3-isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-thioxo-1,3-thiazolan-4-one

CAS 835907-80-7C₂₂H₂₆N₄O₃S₂

3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O3S2, CAS 608497-55-8

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

CAS 608497-55-8C₂₀H₂₄N₄O₃S₂

3-{(Z)-[3-(2-Methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O3S2, CAS 608497-11-6

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

CAS 608497-11-6C₂₀H₂₄N₄O₃S₂

5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-isopropyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H28N4O3S2, CAS 836625-67-3

5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-isopropyl-2-thioxo-1,3-thiazolan-4-one

CAS 836625-67-3C₂₂H₂₈N₄O₃S₂

3-[(Z)-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H28N4O2S2, CAS 608496-61-3

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

CAS 608496-61-3C₂₂H₂₈N₄O₂S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 608497-47-8

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

CAS 608497-47-8C₂₁H₂₆N₄O₂S₂

2-[5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid chemical structure, C21H24N4O5S2, CAS 780775-41-9

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

CAS 780775-41-9C₂₁H₂₄N₄O₅S₂