1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-2-[(4-methyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-2-(4-methylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-2-[(4-methylpyrimidin-2-yl)thio]ethanone Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)N2CCC(CC2)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)N2CCC(CC2)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H30N4O3S/c1-16-4-8-24-23(25-16)31-15-22(28)26-10-6-19(7-11-26)27-9-5-17-12-20(29-2)21(30-3)13-18(17)14-27/h4,8,12-13,19H,5-7,9-11,14-15H2,1-3H3