CompoundList
Murcko scaffold

Ring system with 4 rings and 25 atoms

30 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
30
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.

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 30 of 30 chemicals

3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H16N4O3S2, CAS 384369-53-3
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 384369-53-3C19H16N4O3S2
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C18H14N4O3S2, CAS 500278-45-5
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 500278-45-5C18H14N4O3S2
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)(methyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H18N4O4S2, CAS 388114-86-1
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)(methyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 388114-86-1C20H18N4O4S2
2-(Ethylamino)-3-{(Z)-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C19H16N4O3S2, CAS 385392-18-7
2-(Ethylamino)-3-{(Z)-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-A]pyrimidin-4-one
CAS 385392-18-7C19H16N4O3S2
3-{[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H18N4O4S2, CAS 378774-07-3
3-{[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 378774-07-3C20H18N4O4S2
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C21H20N4O4S2, CAS 381718-02-1
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-4H-pyrido[1,2-A]pyrimidin-4-one
CAS 381718-02-1C21H20N4O4S2
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-methoxyethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C20H18N4O4S2, CAS 378757-84-7
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-methoxyethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
CAS 378757-84-7C20H18N4O4S2
3-{(Z)-[3-(Furan-2-ylmethyl)-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, C21H20N4O4S2, CAS 488851-02-1
3-{(Z)-[3-(Furan-2-ylmethyl)-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 488851-02-1C21H20N4O4S2
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C21H20N4O4S2, CAS 489399-86-2
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-hydroxypropyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 489399-86-2C21H20N4O4S2
3-(2-Furylmethyl)-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, C22H22N4O3S2, CAS 608497-63-8
3-(2-Furylmethyl)-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 608497-63-8C22H22N4O3S2
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H22N4O4S2, CAS 489414-65-5
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(3-methoxypropyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 489414-65-5C22H22N4O4S2
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C19H16N4O4S2, CAS 372975-49-0
3-{(Z)-[3-(2-Furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 372975-49-0C19H16N4O4S2
(5Z)-3-(Furan-2-ylmethyl)-5-[[2-(2-methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C21H20N4O4S2, CAS 381705-10-8
(5Z)-3-(Furan-2-ylmethyl)-5-[[2-(2-methoxyethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 381705-10-8C21H20N4O4S2
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C20H18N4O4S2, CAS 433234-78-7
3-{(Z)-[3-(Furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxyethyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 433234-78-7C20H18N4O4S2
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-hydroxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C20H18N4O4S2, CAS 488810-77-1
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-hydroxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
CAS 488810-77-1C20H18N4O4S2
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-methoxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C21H20N4O4S2, CAS 500274-88-4
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-methoxyethyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
CAS 500274-88-4C21H20N4O4S2
2-Chloro-3-[[3-(2-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C18H12ClN3O3S2, CAS 469879-41-2
2-Chloro-3-[[3-(2-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 469879-41-2C18H12ClN3O3S2
2-(Allylamino)-3-((Z)-(3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C21H18N4O3S2, CAS 374548-05-7
2-(Allylamino)-3-((Z)-(3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
CAS 374548-05-7C21H18N4O3S2
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C21H20N4O5S2, CAS 497079-47-7
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
CAS 497079-47-7C21H20N4O5S2
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one chemical structure, C22H22N4O5S2, CAS 498535-58-3
(Z)-3-(Furan-2-ylmethyl)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
CAS 498535-58-3C22H22N4O5S2
3-(2-Furylmethyl)-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, C24H26N4O4S2, CAS 836635-36-0
3-(2-Furylmethyl)-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 836635-36-0C24H26N4O4S2
2-[(3-Ethoxypropyl)amino]-3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H24N4O4S2, CAS 617686-38-1
2-[(3-Ethoxypropyl)amino]-3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 617686-38-1C23H24N4O4S2
3-(2-Furylmethyl)-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, C22H22N4O3S2, CAS 608497-18-3
3-(2-Furylmethyl)-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 608497-18-3C22H22N4O3S2
2-[(3-Ethoxypropyl)amino]-3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C22H22N4O4S2, CAS 615279-43-1
2-[(3-Ethoxypropyl)amino]-3-{(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 615279-43-1C22H22N4O4S2