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

Systemtic Name: 4-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-benzyl-4-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]benzamide Formula: C30H31ClN4O3S MolecularWeight: 563.11014

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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)NCC4=CC=CC=C4)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4)Cl

InChI

InChI=1S/C30H31ClN4O3S/c1-35(16-15-21-11-14-25(37-2)26(17-21)38-3)28-18-27(31)33-30(34-28)39-20-23-9-12-24(13-10-23)29(36)32-19-22-7-5-4-6-8-22/h4-14,17-18H,15-16,19-20H2,1-3H3,(H,32,36)