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

Systemtic Name: 2-(6-chloranyl-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(6-chloro-2-methylsulfanyl-5-phenyl-pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-chloro-2-(methylthio)-5-phenyl-4-pyrimidinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-chloro-2-(methylthio)-5-phenyl-pyrimidin-4-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=NC(=N3)SC)Cl)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C(=NC(=N3)SC)Cl)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H22ClN3O2S/c1-27-17-11-15-9-10-26(13-16(15)12-18(17)28-2)21-19(14-7-5-4-6-8-14)20(23)24-22(25-21)29-3/h4-8,11-12H,9-10,13H2,1-3H3