(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=NC(=NC=C3Cl)SC)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=NC(=NC=C3Cl)SC)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H22ClN3O3S/c1-29-18-11-15-9-10-27(22(28)20-17(24)13-25-23(26-20)31-3)21(14-7-5-4-6-8-14)16(15)12-19(18)30-2/h4-8,11-13,21H,9-10H2,1-3H3