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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 241 to 288 of 310 chemicals

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-7-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, C22H28N4O4S2, CAS 615279-66-8

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

CAS 615279-66-8C₂₂H₂₈N₄O₄S₂

(5Z)-3-Butan-2-yl-5-[[2-(3-ethoxypropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C22H28N4O3S2, CAS 617688-05-8

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

CAS 617688-05-8C₂₂H₂₈N₄O₃S₂

2-(Dipropylamino)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H32N4O2S2, CAS 840497-43-0

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

CAS 840497-43-0C₂₄H₃₂N₄O₂S₂

3-{(Z)-[3-(2-Methoxyethyl)-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, C22H28N4O4S2, CAS 840456-64-6

3-{(Z)-[3-(2-Methoxyethyl)-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 840456-64-6C₂₂H₂₈N₄O₄S₂

3-{(5Z)-5-[(7-Methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid chemical structure, C22H26N4O5S2, CAS 714933-63-8

3-{(5Z)-5-[(7-Methyl-4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid

CAS 714933-63-8C₂₂H₂₆N₄O₅S₂

3-(sec-Butyl)-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, C23H30N4O3S2, CAS 835910-90-2

3-(sec-Butyl)-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 835910-90-2C₂₃H₃₀N₄O₃S₂

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(3-methoxypropyl)-2-thioxothiazolidin-4-one chemical structure, C20H24N4O5S2, CAS 488842-62-2

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

CAS 488842-62-2C₂₀H₂₄N₄O₅S₂

3-[(Z)-(3-Dodecyl-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, C29H42N4O2S2, CAS 608497-72-9

3-[(Z)-(3-Dodecyl-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 608497-72-9C₂₉H₄₂N₄O₂S₂

2-(Dipropylamino)-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, C22H28N4O2S2, CAS 877788-42-6

2-(Dipropylamino)-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 877788-42-6C₂₂H₂₈N₄O₂S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O4S2, CAS 497242-54-3

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

CAS 497242-54-3C₂₀H₂₄N₄O₄S₂

2-(Dipropylamino)-3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H32N4O3S2, CAS 877796-28-6

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

CAS 877796-28-6C₂₄H₃₂N₄O₃S₂

3-[(Z)-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O4S2, CAS 500273-92-7

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

CAS 500273-92-7C₂₃H₃₀N₄O₄S₂

2-(Dipropylamino)-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O2S2, CAS 578760-08-4

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

CAS 578760-08-4C₂₃H₃₀N₄O₂S₂

3-[(Z)-(3-Hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H34N4O3S2, CAS 836634-85-6

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

CAS 836634-85-6C₂₅H₃₄N₄O₃S₂

3-{(Z)-[3-(3-Methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O4S2, CAS 799839-61-5

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

CAS 799839-61-5C₂₃H₃₀N₄O₄S₂

3-{(Z)-[3-(Butan-2-yl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O2S2, CAS 608496-84-0

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

CAS 608496-84-0C₂₀H₂₄N₄O₂S₂

(Z)-5-((2-((1-Hydroxybutan-2-yl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one chemical structure, C20H24N4O4S2, CAS 615272-40-7

(Z)-5-((2-((1-Hydroxybutan-2-yl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one

CAS 615272-40-7C₂₀H₂₄N₄O₄S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-methoxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O4S2, CAS 488793-83-5

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

CAS 488793-83-5C₂₀H₂₄N₄O₄S₂

3-[(Z)-(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O3S2, CAS 836634-28-7

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

CAS 836634-28-7C₂₀H₂₄N₄O₃S₂

4-[(5Z)-5-{[2-(Dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid chemical structure, C22H26N4O4S2, CAS 843629-61-8

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

CAS 843629-61-8C₂₂H₂₆N₄O₄S₂

6-[(5Z)-5-{[2-(Dipropylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid chemical structure, C25H32N4O4S2, CAS 716332-82-0

6-[(5Z)-5-{[2-(Dipropylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid

CAS 716332-82-0C₂₅H₃₂N₄O₄S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(dipropylamino)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O2S2, CAS 848684-29-7

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

CAS 848684-29-7C₂₃H₃₀N₄O₂S₂

3-[(Z)-(3-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[2-(2-hydroxyethoxy)ethyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O4S2, CAS 498537-80-7

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

CAS 498537-80-7C₂₁H₂₆N₄O₄S₂

3-(sec-Butyl)-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 608497-28-5

3-(sec-Butyl)-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 608497-28-5C₂₁H₂₆N₄O₂S₂