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

Systemtic Name: 3-[[4-chloranyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide Openeye Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide CAS Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide IUPAC Name: 3-[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide Traditional Name: 3-[[[4-chloro-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide Formula: C31H31ClN4O3S MolecularWeight: 575.12084

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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)NCCC5=CC=CC=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=CC(=NC(=N3)SCC4=CC=CC(=C4)C(=O)NCCC5=CC=CC=C5)Cl)OC

InChI

InChI=1S/C31H31ClN4O3S/c1-38-26-16-23-12-14-36(19-25(23)17-27(26)39-2)29-18-28(32)34-31(35-29)40-20-22-9-6-10-24(15-22)30(37)33-13-11-21-7-4-3-5-8-21/h3-10,15-18H,11-14,19-20H2,1-2H3,(H,33,37)