2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C23H31ClN4O3S MolecularWeight: 479.03524

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=CC(=NC(=N2)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C23H31ClN4O3S/c1-28(12-11-16-9-10-18(30-2)19(13-16)31-3)21-14-20(24)26-23(27-21)32-15-22(29)25-17-7-5-4-6-8-17/h9-10,13-14,17H,4-8,11-12,15H2,1-3H3,(H,25,29)