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

Systemtic Name: 2-[4-chloranyl-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-[homoveratryl(methyl)amino]pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C21H29ClN4O3S MolecularWeight: 452.99796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3S/c1-6-26(7-2)20(27)14-30-21-23-18(22)13-19(24-21)25(3)11-10-15-8-9-16(28-4)17(12-15)29-5/h8-9,12-13H,6-7,10-11,14H2,1-5H3