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

Systemtic Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H25N3O3S/c1-32-23-14-19-12-13-30(26(18-8-4-3-5-9-18)21(19)15-24(23)33-2)25(31)16-34-27-20-10-6-7-11-22(20)28-17-29-27/h3-11,14-15,17,26H,12-13,16H2,1-2H3/t26-/m1/s1