3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-(1,2-diphenylethyl)benzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-(1,2-diphenylethyl)benzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-(1,2-diphenylethyl)benzamide Formula: C37H37ClN4O3S MolecularWeight: 653.23268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C37H37ClN4O3S/c1-42(20-19-27-17-18-32(44-2)33(23-27)45-3)35-24-34(38)40-37(41-35)46-25-28-13-10-16-30(21-28)36(43)39-31(29-14-8-5-9-15-29)22-26-11-6-4-7-12-26/h4-18,21,23-24,31H,19-20,22,25H2,1-3H3,(H,39,43)