5-pentyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 5-pentyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-pentyl-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-pentyl-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-pentyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-(amylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C20H32N2OS MolecularWeight: 348.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C20H32N2OS/c1-3-5-8-14-17-18(16-12-9-7-10-13-16)21-20(22-19(17)23)24-15-11-6-4-2/h7,9-10,12-13,17-18,20-21H,3-6,8,11,14-15H2,1-2H3,(H,22,23)