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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-ethoxy-benzamide Formula: C25H29ClN4O4S MolecularWeight: 517.04016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4O4S/c1-5-34-29-24(31)19-8-6-7-18(13-19)16-35-25-27-22(26)15-23(28-25)30(2)12-11-17-9-10-20(32-3)21(14-17)33-4/h6-10,13-15H,5,11-12,16H2,1-4H3,(H,29,31)