3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C29H33ClN4O3S MolecularWeight: 553.11532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CCCCC5)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NC5CCCCC5)Cl)OC

InChI

InChI=1S/C29H33ClN4O3S/c1-36-24-14-20-11-12-34(17-22(20)15-25(24)37-2)27-16-26(30)32-29(33-27)38-18-19-7-6-8-21(13-19)28(35)31-23-9-4-3-5-10-23/h6-8,13-16,23H,3-5,9-12,17-18H2,1-2H3,(H,31,35)