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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-cyclohexylbenzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-cyclohexylbenzamide Traditional Name: 3-[[[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=CC(=C3)C(=O)NC4CCCCC4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H35ClN4O3S/c1-34(15-14-20-12-13-24(36-2)25(17-20)37-3)27-18-26(30)32-29(33-27)38-19-21-8-7-9-22(16-21)28(35)31-23-10-5-4-6-11-23/h7-9,12-13,16-18,23H,4-6,10-11,14-15,19H2,1-3H3,(H,31,35)