N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-homoveratryl-2-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-12-9-17(21-11-20-12)25-13(2)18(22)19-8-7-14-5-6-15(23-3)16(10-14)24-4/h5-6,9-11,13H,7-8H2,1-4H3,(H,19,22)