2-methylsulfanyl-N-phenethyl-4-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-N-phenethyl-4-phenyl-pyrimidine-5-carboxamide Openeye Name: 2-methylsulfanyl-N-phenethyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-N-phenethyl-4-phenyl-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-N-phenethyl-4-phenylpyrimidine-5-carboxamide Traditional Name: 2-(methylthio)-N-phenethyl-4-phenyl-pyrimidine-5-carboxamide Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c1-25-20-22-14-17(18(23-20)16-10-6-3-7-11-16)19(24)21-13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,21,24)