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

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C20H27ClN4O3S MolecularWeight: 438.97138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H27ClN4O3S/c1-13(2)22-19(26)12-29-20-23-17(21)11-18(24-20)25(3)9-8-14-6-7-15(27-4)16(10-14)28-5/h6-7,10-11,13H,8-9,12H2,1-5H3,(H,22,26)