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Murcko scaffold

2-(Benzylsulfanyl)-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one scaffold

5 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
30
Chemicals
5
With full pages
3
Scaffold SMILES

O=C1c2cnc3nc(SCc4ccccc4)nn3c2CC2c3ccccc3CCN12

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)-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one page
Murcko scaffold O=C1c2cnc3nc(SCc4ccccc4)nn3c2CC2c3ccccc3CCN12

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 5 of 5 chemicals

2-[(3-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one chemical structure, C23H18ClN5OS, CAS 344262-91-5
2-[(3-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
CAS 344262-91-5C23H18ClN5OS
11,12-Dimethoxy-2-[(4-methylbenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one chemical structure, C26H25N5O3S, CAS 685109-13-1
11,12-Dimethoxy-2-[(4-methylbenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
CAS 685109-13-1C26H25N5O3S
2-[(4-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one chemical structure, C23H18ClN5OS, CAS 344262-99-3
2-[(4-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
CAS 344262-99-3C23H18ClN5OS
2-(Benzylsulfanyl)-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one chemical structure, C23H19N5OS, CAS 344263-06-5
2-(Benzylsulfanyl)-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
CAS 344263-06-5C23H19N5OS
2-[(2-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one chemical structure, C23H18ClN5OS, CAS 344262-83-5
2-[(2-Chlorobenzyl)sulfanyl]-8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-6-one
CAS 344262-83-5C23H18ClN5OS