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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(1-methyl-3-phenyl-propyl)benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-(4-phenylbutan-2-yl)benzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-(4-phenylbutan-2-yl)benzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-(1-methyl-3-phenyl-propyl)benzamide Formula: C33H37ClN4O3S MolecularWeight: 605.18988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H37ClN4O3S/c1-23(13-14-24-9-6-5-7-10-24)35-32(39)27-12-8-11-26(19-27)22-42-33-36-30(34)21-31(37-33)38(2)18-17-25-15-16-28(40-3)29(20-25)41-4/h5-12,15-16,19-21,23H,13-14,17-18,22H2,1-4H3,(H,35,39)