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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-hexyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-hexylbenzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-hexyl-benzamide Formula: C29H37ClN4O3S MolecularWeight: 557.14708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C29H37ClN4O3S/c1-5-6-7-8-15-31-28(35)23-11-9-10-22(17-23)20-38-29-32-26(30)19-27(33-29)34(2)16-14-21-12-13-24(36-3)25(18-21)37-4/h9-13,17-19H,5-8,14-16,20H2,1-4H3,(H,31,35)