1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=NC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC=NC4=CC=CC=C43)OC

InChI

InChI=1S/C21H21N3O3S/c1-26-18-9-14-7-8-24(11-15(14)10-19(18)27-2)20(25)12-28-21-16-5-3-4-6-17(16)22-13-23-21/h3-6,9-10,13H,7-8,11-12H2,1-2H3