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Murcko scaffold

Ring system with 4 rings and 25 atoms

26 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 26
With full pages: 3

Scaffold SMILES

O=C1C(=Cc2cnc3ccccn3c2=O)SC(=S)N1CC1CCCO1

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=C1C(=Cc2cnc3ccccn3c2=O)SC(=S)N1CC1CCCO1

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 1 to 26 of 26 chemicals

(5Z)-3-(Oxolan-2-ylmethyl)-5-[[4-oxo-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C20H22N4O3S2, CAS 381705-94-8

(5Z)-3-(Oxolan-2-ylmethyl)-5-[[4-oxo-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS 381705-94-8C₂₀H₂₂N₄O₃S₂

9-Methyl-2-(methylamino)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H20N4O3S2, CAS 384797-19-7

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

CAS 384797-19-7C₁₉H₂₀N₄O₃S₂

2-((2-Hydroxyethyl)amino)-3-((Z)-(4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-ON E chemical structure, C19H20N4O4S2, CAS 378769-04-1

2-((2-Hydroxyethyl)amino)-3-((Z)-(4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-ON E

CAS 378769-04-1C₁₉H₂₀N₄O₄S₂

3-(Oxolan-2-ylmethyl)-5-{[4-oxo-2-(prop-2-enylamino)(5-hydropyridino[1,2-a]pyr imidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-one chemical structure, C20H20N4O3S2, CAS 385419-39-6

3-(Oxolan-2-ylmethyl)-5-{[4-oxo-2-(prop-2-enylamino)(5-hydropyridino[1,2-a]pyr imidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-one

CAS 385419-39-6C₂₀H₂₀N₄O₃S₂

2-(Ethylamino)-3-((Z)-(4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C19H20N4O3S2, CAS 433324-44-8

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

CAS 433324-44-8C₁₉H₂₀N₄O₃S₂

2-(Allylamino)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-T hioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H22N4O3S2, CAS 361995-95-1

2-(Allylamino)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-T hioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one

CAS 361995-95-1C₂₁H₂₂N₄O₃S₂

(Z)-5-((2-(Isopropylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C20H22N4O3S2, CAS 385389-18-4

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

CAS 385389-18-4C₂₀H₂₂N₄O₃S₂

(Z)-5-((2-((2-Methoxyethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C20H22N4O4S2, CAS 381681-80-7

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

CAS 381681-80-7C₂₀H₂₂N₄O₄S₂

2-[(2-Hydroxyethyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H22N4O4S2, CAS 489462-85-3

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

CAS 489462-85-3C₂₀H₂₂N₄O₄S₂

2-(Dipropylamino)-7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H30N4O3S2, CAS 843672-68-4

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

CAS 843672-68-4C₂₄H₃₀N₄O₃S₂

(Z)-5-((2-((3-Isopropoxypropyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C24H30N4O4S2, CAS 836626-78-9

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

CAS 836626-78-9C₂₄H₃₀N₄O₄S₂

(Z)-5-((2-((2-Hydroxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C20H22N4O4S2, CAS 487035-54-1

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

CAS 487035-54-1C₂₀H₂₂N₄O₄S₂

2-[(3-Ethoxypropyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28N4O4S2, CAS 617686-24-5

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

CAS 617686-24-5C₂₃H₂₈N₄O₄S₂

2-(Dipropylamino)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H28N4O3S2, CAS 577981-07-8

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

CAS 577981-07-8C₂₃H₂₈N₄O₃S₂

2-[(3-Hydroxypropyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H24N4O4S2, CAS 488709-25-7

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

CAS 488709-25-7C₂₁H₂₄N₄O₄S₂

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C21H24N4O5S2, CAS 497079-57-9

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

CAS 497079-57-9C₂₁H₂₄N₄O₅S₂

2-(Methylamino)-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C18H18N4O3S2, CAS 384800-29-7

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

CAS 384800-29-7C₁₈H₁₈N₄O₃S₂

(Z)-5-((2-((2-Methoxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C21H24N4O4S2, CAS 500146-95-2

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

CAS 500146-95-2C₂₁H₂₄N₄O₄S₂

2-[(3-Methoxypropyl)amino]-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H26N4O4S2, CAS 497243-92-2

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

CAS 497243-92-2C₂₂H₂₆N₄O₄S₂

2-(Dipropylamino)-9-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H30N4O3S2, CAS 877801-80-4

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

CAS 877801-80-4C₂₄H₃₀N₄O₃S₂

2-[(2-Methylpropyl)amino]-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H24N4O3S2, CAS 608496-73-7

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

CAS 608496-73-7C₂₁H₂₄N₄O₃S₂

(Z)-5-((2-((3-Isopropoxypropyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C24H30N4O4S2, CAS 836642-23-0

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

CAS 836642-23-0C₂₄H₃₀N₄O₄S₂

(Z)-5-((2-((2-(2-Hydroxyethoxy)ethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one chemical structure, C22H26N4O5S2, CAS 488129-79-9

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

CAS 488129-79-9C₂₂H₂₆N₄O₅S₂

2-[(3-Hydroxypropyl)amino]-7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H24N4O4S2, CAS 488854-33-7

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

CAS 488854-33-7C₂₁H₂₄N₄O₄S₂