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

Systemtic Name: 3-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide Openeye Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzamide CAS Name: 3-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide IUPAC Name: 3-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylbenzamide Traditional Name: 3-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-homoveratryl-N-methyl-benzamide Formula: C34H39ClN4O5S MolecularWeight: 651.21526

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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)N(C)CCC4=CC(=C(C=C4)OC)OC)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)N(C)CCC4=CC(=C(C=C4)OC)OC)Cl

InChI

InChI=1S/C34H39ClN4O5S/c1-38(16-14-23-10-12-27(41-3)29(19-23)43-5)32-21-31(35)36-34(37-32)45-22-25-8-7-9-26(18-25)33(40)39(2)17-15-24-11-13-28(42-4)30(20-24)44-6/h7-13,18-21H,14-17,22H2,1-6H3