N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-homoveratryl-propionamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H27N3O3S/c1-13-16(14(2)23-20(22-13)27-5)7-9-19(24)21-11-10-15-6-8-17(25-3)18(12-15)26-4/h6,8,12H,7,9-11H2,1-5H3,(H,21,24)