N-(4-ethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-ethoxyphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-ethoxyphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: 3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-p-phenetyl-propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O2S/c1-3-27-19-11-9-18(10-12-19)25-21(26)13-14-28-22-15-20(23-16(2)24-22)17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)