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

Systemtic Name: 4-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 4-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 4-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-cyclohexyl-benzamide Formula: C29H35ClN4O3S MolecularWeight: 555.1312

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CCCCC4)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NC4CCCCC4)Cl

InChI

InChI=1S/C29H35ClN4O3S/c1-34(16-15-20-11-14-24(36-2)25(17-20)37-3)27-18-26(30)32-29(33-27)38-19-21-9-12-22(13-10-21)28(35)31-23-7-5-4-6-8-23/h9-14,17-18,23H,4-8,15-16,19H2,1-3H3,(H,31,35)