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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-homoveratryl-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O3S/c1-16(30-22-14-19(25-15-26-22)18-7-5-4-6-8-18)23(27)24-12-11-17-9-10-20(28-2)21(13-17)29-3/h4-10,13-16H,11-12H2,1-3H3,(H,24,27)