3-[(4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanamide

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanamide Openeye Name: 3-(4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylpropanamide CAS Name: 3-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]propanamide IUPAC Name: 3-[(4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]propanamide Traditional Name: 3-[(4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]propionamide Formula: C13H17N3O2S MolecularWeight: 279.35798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(NC1=O)SCCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

C1C(NC(NC1=O)SCCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O2S/c14-11(17)6-7-19-13-15-10(8-12(18)16-13)9-4-2-1-3-5-9/h1-5,10,13,15H,6-8H2,(H2,14,17)(H,16,18)