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

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

Systemtic Name:4-[[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide
Openeye Name:4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethyl-benzamide
CAS Name:4-[[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]methyl]-N-phenethylbenzamide
IUPAC Name:4-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanylmethyl]-N-phenethylbenzamide
Traditional Name:4-[[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]methyl]-N-phenethyl-benzamide
Formula: C31H33ClN4O3S
MolecularWeight: 577.13672
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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)NCCC4=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)NCCC4=CC=CC=C4)Cl


InChI

InChI=1S/C31H33ClN4O3S/c1-36(18-16-23-11-14-26(38-2)27(19-23)39-3)29-20-28(32)34-31(35-29)40-21-24-9-12-25(13-10-24)30(37)33-17-15-22-7-5-4-6-8-22/h4-14,19-20H,15-18,21H2,1-3H3,(H,33,37)


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