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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 193 to 240 of 310 chemicals

6-{(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}hexanoic acid chemical structure, C25H32N4O5S2, CAS 714291-79-9

6-{(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}hexanoic acid

CAS 714291-79-9C₂₅H₃₂N₄O₅S₂

6-{(5Z)-4-Oxo-5-[(4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid chemical structure, C24H30N4O5S2, CAS 799836-04-7

6-{(5Z)-4-Oxo-5-[(4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid

CAS 799836-04-7C₂₄H₃₀N₄O₅S₂

3-{(5Z)-5-[(9-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 836630-21-8

3-{(5Z)-5-[(9-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 836630-21-8C₂₂H₂₆N₄O₅S₂

3-(sec-Butyl)-5-{(Z)-1-[2-(dipropylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C23H30N4O2S2, CAS 862484-96-6

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

CAS 862484-96-6C₂₃H₃₀N₄O₂S₂

3-{(Z)-[3-(3-Methoxypropyl)-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, C23H30N4O4S2, CAS 836650-74-9

3-{(Z)-[3-(3-Methoxypropyl)-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 836650-74-9C₂₃H₃₀N₄O₄S₂

3-Isobutyl-5-{(Z)-1-[2-(isobutylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C21H26N4O2S2, CAS 608497-52-5

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

CAS 608497-52-5C₂₁H₂₆N₄O₂S₂

2-(Dipropylamino)-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, C24H32N4O2S2, CAS 846583-52-6

2-(Dipropylamino)-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 846583-52-6C₂₄H₃₂N₄O₂S₂

2-[(3-Ethoxypropyl)amino]-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, C20H24N4O4S2, CAS 615279-41-9

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

CAS 615279-41-9C₂₀H₂₄N₄O₄S₂

3-{(Z)-[3-(3-Ethoxypropyl)-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, C22H28N4O5S2, CAS 489416-91-3

3-{(Z)-[3-(3-Ethoxypropyl)-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 489416-91-3C₂₂H₂₈N₄O₅S₂

3-{(Z)-[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O4S2, CAS 489400-12-6

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

CAS 489400-12-6C₂₁H₂₆N₄O₄S₂

3-[(Z)-(3-Dodecyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C28H40N4O2S2, CAS 608496-83-9

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

CAS 608496-83-9C₂₈H₄₀N₄O₂S₂

3-[(Z)-(3-Hexyl-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, C25H34N4O3S2, CAS 835908-28-6

3-[(Z)-(3-Hexyl-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 835908-28-6C₂₅H₃₄N₄O₃S₂

(Z)-5-((2-((1-Hydroxybutan-2-yl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one chemical structure, C18H20N4O3S2, CAS 615272-34-9

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

CAS 615272-34-9C₁₈H₂₀N₄O₃S₂

3-((Z)-(3-sec-Butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(ethylamino)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C18H20N4O2S2, CAS 609796-16-9

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

CAS 609796-16-9C₁₈H₂₀N₄O₂S₂

2-[(3-Ethoxypropyl)amino]-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, C22H28N4O3S2, CAS 615279-38-4

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

CAS 615279-38-4C₂₂H₂₈N₄O₃S₂

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-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, C22H28N4O4S2, CAS 615279-67-9

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-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 615279-67-9C₂₂H₂₈N₄O₄S₂

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one chemical structure, C20H24N4O5S2, CAS 615279-69-1

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-methoxyethyl)-2-thioxothiazolidin-4-one

CAS 615279-69-1C₂₀H₂₄N₄O₅S₂

3-{(Z)-[3-(3-Ethoxypropyl)-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, C22H28N4O3S2, CAS 608497-25-2

3-{(Z)-[3-(3-Ethoxypropyl)-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 608497-25-2C₂₂H₂₈N₄O₃S₂

(Z)-6-(5-((2-(Allylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid chemical structure, C21H22N4O4S2, CAS 469879-43-4

(Z)-6-(5-((2-(Allylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid

CAS 469879-43-4C₂₁H₂₂N₄O₄S₂

2-(Dipropylamino)-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, C23H30N4O3S2, CAS 573709-47-4

2-(Dipropylamino)-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 573709-47-4C₂₃H₃₀N₄O₃S₂

2-{[2-(2-Hydroxyethoxy)ethyl]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, C21H26N4O5S2, CAS 489463-97-0

2-{[2-(2-Hydroxyethoxy)ethyl]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 489463-97-0C₂₁H₂₆N₄O₅S₂

5-((Z)-1-{2-[(3-Isopropoxypropyl)amino]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-3-pentyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C24H32N4O3S2, CAS 840457-17-2

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

CAS 840457-17-2C₂₄H₃₂N₄O₃S₂

(Z)-3-(sec-Butyl)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C20H24N4O4S2, CAS 496796-09-9

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

CAS 496796-09-9C₂₀H₂₄N₄O₄S₂

3-(sec-Butyl)-5-{(Z)-1-[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H28N4O2S2, CAS 577699-39-9

3-(sec-Butyl)-5-{(Z)-1-[2-(dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one

CAS 577699-39-9C₂₂H₂₈N₄O₂S₂