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Murcko scaffold

2-(Benzylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one scaffold

45 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
45
With full pages
2
Scaffold SMILES

O=C1CCCC2=C1C(c1ccccc1)n1nc(SCc3ccccc3)nc1N2

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 scaffoldOpen the 2-(Benzylsulfanyl)-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one page
Murcko scaffold O=C1CCCC2=C1C(c1ccccc1)n1nc(SCc3ccccc3)nc1N2

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 45 of 45 chemicals

2-(Benzylsulfanyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4O3S, CAS 536981-09-6
2-(Benzylsulfanyl)-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-09-6C24H24N4O3S
2-(Benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C23H22N4O2S, CAS 536981-02-9
2-(Benzylsulfanyl)-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-02-9C23H22N4O2S
2-(Benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4O3S, CAS 727402-39-3
2-(Benzylsulfanyl)-9-(2,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 727402-39-3C24H24N4O3S
2-(Benzylsulfanyl)-9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4O3S, CAS 727402-40-6
2-(Benzylsulfanyl)-9-(2,5-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 727402-40-6C24H24N4O3S
9-(4-Chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H18ClFN4OS, CAS 536981-91-6
9-(4-Chlorophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-91-6C22H18ClFN4OS
2-[(2-Chlorobenzyl)sulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C25H25ClN4O4S, CAS 536982-95-3
2-[(2-Chlorobenzyl)sulfanyl]-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-95-3C25H25ClN4O4S
2-{[(2-Chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one chemical structure, C23H21ClN4O2S, CAS 536982-80-6
2-{[(2-Chlorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
CAS 536982-80-6C23H21ClN4O2S
2-(Benzylsulfanyl)-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C23H22N4O2S, CAS 536980-96-8
2-(Benzylsulfanyl)-9-(3-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536980-96-8C23H22N4O2S
2-(Benzylsulfanyl)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C23H22N4O2S, CAS 536980-94-6
2-(Benzylsulfanyl)-9-(2-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536980-94-6C23H22N4O2S
2-[(2-Chlorobenzyl)sulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H19ClN4O2S, CAS 536982-83-9
2-[(2-Chlorobenzyl)sulfanyl]-9-(3-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-83-9C22H19ClN4O2S
9-(3-Bromophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H18BrFN4OS, CAS 536981-88-1
9-(3-Bromophenyl)-2-((2-fluorobenzyl)thio)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-88-1C22H18BrFN4OS
2-(Benzylthio)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C25H26N4O2S, CAS 536984-64-2
2-(Benzylthio)-9-(3-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536984-64-2C25H26N4O2S
2-(Benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4O3S, CAS 727402-37-1
2-(Benzylsulfanyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 727402-37-1C24H24N4O3S
2-(Benzylsulfanyl)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H20N4O2S, CAS 536981-23-4
2-(Benzylsulfanyl)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-23-4C22H20N4O2S
2-(Benzylthio)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4O2S, CAS 536981-00-7
2-(Benzylthio)-9-(4-ethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536981-00-7C24H24N4O2S
2-(Benzylthio)-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H19N5O3S, CAS 536980-89-9
2-(Benzylthio)-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536980-89-9C22H19N5O3S
2-((2-Chlorobenzyl)thio)-9-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C26H27ClN4O3S, CAS 536986-91-1
2-((2-Chlorobenzyl)thio)-9-(3,4-dimethoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536986-91-1C26H27ClN4O3S
2-((2-Fluorobenzyl)thio)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C25H25FN4O4S, CAS 536982-29-3
2-((2-Fluorobenzyl)thio)-9-(3,4,5-trimethoxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-29-3C25H25FN4O4S
2-{[(2-Fluorophenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one chemical structure, C22H18FN5O3S, CAS 536981-94-9
2-{[(2-Fluorophenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
CAS 536981-94-9C22H18FN5O3S
2-(Benzylsulfanyl)-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H24N4OS, CAS 536984-37-9
2-(Benzylsulfanyl)-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536984-37-9C24H24N4OS
2-((2-Fluorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H18F2N4OS, CAS 536982-00-0
2-((2-Fluorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-00-0C22H18F2N4OS
2-((2-Chlorobenzyl)thio)-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H18ClN5O3S, CAS 536982-62-4
2-((2-Chlorobenzyl)thio)-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-62-4C22H18ClN5O3S
2-((2-Fluorobenzyl)thio)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C24H22FN5O3S, CAS 536985-90-7
2-((2-Fluorobenzyl)thio)-6,6-dimethyl-9-(4-nitrophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536985-90-7C24H22FN5O3S
2-((2-Chlorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one chemical structure, C22H18ClFN4OS, CAS 536982-67-9
2-((2-Chlorobenzyl)thio)-9-(4-fluorophenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CAS 536982-67-9C22H18ClFN4OS