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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 145 to 192 of 310 chemicals

2-{[2-(2-Hydroxyethoxy)ethyl]amino}-7-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 615279-58-8

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

CAS 615279-58-8C₂₀H₂₄N₄O₄S₂

2-(Dipropylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 577788-15-9

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

CAS 577788-15-9C₂₁H₂₆N₄O₂S₂

5-{(Z)-1-[2-(Dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-isopropyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C21H26N4O2S2, CAS 587004-12-4

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

CAS 587004-12-4C₂₁H₂₆N₄O₂S₂

5-{(Z)-1-[2-(Dipropylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-3-isopropyl-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H28N4O2S2, CAS 847180-98-7

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

CAS 847180-98-7C₂₂H₂₈N₄O₂S₂

2-(Dipropylamino)-7-methyl-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, C23H30N4O2S2, CAS 844460-11-3

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

CAS 844460-11-3C₂₃H₃₀N₄O₂S₂

2-(Dipropylamino)-7-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, C20H24N4O2S2, CAS 844464-03-5

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

CAS 844464-03-5C₂₀H₂₄N₄O₂S₂

3-Allyl-5-{(Z)-1-[2-(dipropylamino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one chemical structure, C22H26N4O2S2, CAS 845627-42-1

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

CAS 845627-42-1C₂₂H₂₆N₄O₂S₂

2-(Dipropylamino)-7-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 845629-52-9

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

CAS 845629-52-9C₂₂H₂₈N₄O₂S₂

3-[(5Z)-5-{[2-(Dipropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid chemical structure, C21H24N4O4S2, CAS 842977-83-7

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

CAS 842977-83-7C₂₁H₂₄N₄O₄S₂

2-(Dipropylamino)-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, C22H28N4O3S2, CAS 850825-66-0

2-(Dipropylamino)-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 850825-66-0C₂₂H₂₈N₄O₃S₂

2-(Dipropylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 845806-25-9

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

CAS 845806-25-9C₂₁H₂₆N₄O₂S₂

2-(Dipropylamino)-3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H24N4O2S2, CAS 843626-49-3

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

CAS 843626-49-3C₂₀H₂₄N₄O₂S₂

2-(Dipropylamino)-3-[(Z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H22N4O2S2, CAS 573704-95-7

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

CAS 573704-95-7C₁₉H₂₂N₄O₂S₂

2-(Dipropylamino)-3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O2S2, CAS 573706-24-8

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

CAS 573706-24-8C₂₁H₂₆N₄O₂S₂

2-[(3-Methoxypropyl)amino]-3-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C16H16N4O3S2, CAS 505079-34-5

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

CAS 505079-34-5C₁₆H₁₆N₄O₃S₂

2-(Allylamino)-3-[(Z)-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C20H22N4O2S2, CAS 361995-65-5

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

CAS 361995-65-5C₂₀H₂₂N₄O₂S₂

(Z)-5-((2-(Isopropylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one chemical structure, C17H18N4O2S2, CAS 867136-81-0

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

CAS 867136-81-0C₁₇H₁₈N₄O₂S₂

2-[(2-Hydroxyethyl)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, C18H20N4O4S2, CAS 432528-10-4

2-[(2-Hydroxyethyl)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 432528-10-4C₁₈H₂₀N₄O₄S₂

3-[[3-(2-Ethylhexyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[[2-(2-hydroxyethoxy)ethyl]amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H32N4O4S2, CAS 608119-83-1

3-[[3-(2-Ethylhexyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[[2-(2-hydroxyethoxy)ethyl]amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 608119-83-1C₂₄H₃₂N₄O₄S₂

3-[[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(2-methoxyethyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H26N4O4S2, CAS 497228-79-2

3-[[3-(3-Ethoxypropyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-2-[(2-methoxyethyl)amino]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

CAS 497228-79-2C₂₁H₂₆N₄O₄S₂

3-(3-Ethoxypropyl)-5-[[2-(ethylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C20H24N4O3S2, CAS 7026-40-6

3-(3-Ethoxypropyl)-5-[[2-(ethylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 7026-40-6C₂₀H₂₄N₄O₃S₂

2-[(3-Ethoxypropyl)amino]-3-{[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H30N4O4S2, CAS 7026-41-7

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

CAS 7026-41-7C₂₃H₃₀N₄O₄S₂

3-(5-{[2-(Diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid chemical structure, C20H22N4O4S2, CAS 6616-17-7

3-(5-{[2-(Diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid

CAS 6616-17-7C₂₀H₂₂N₄O₄S₂

5-[[9-Methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C22H28N4O3S2, CAS 4862-40-2

5-[[9-Methyl-4-oxo-2-(3-propan-2-yloxypropylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 4862-40-2C₂₂H₂₈N₄O₃S₂