2-cyclopentylsulfanyl-6-phenyl-5-propyl-1,3-diazinan-4-one

Systemtic Name: 2-cyclopentylsulfanyl-6-phenyl-5-propyl-1,3-diazinan-4-one Openeye Name: 2-cyclopentylsulfanyl-6-phenyl-5-propyl-hexahydropyrimidin-4-one CAS Name: 2-(cyclopentylthio)-6-phenyl-5-propyl-1,3-diazinan-4-one IUPAC Name: 2-cyclopentylsulfanyl-6-phenyl-5-propyl-1,3-diazinan-4-one Traditional Name: 2-(cyclopentylthio)-6-phenyl-5-propyl-hexahydropyrimidin-4-one Formula: C18H26N2OS MolecularWeight: 318.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCC1C(NC(NC1=O)SC2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N2OS/c1-2-8-15-16(13-9-4-3-5-10-13)19-18(20-17(15)21)22-14-11-6-7-12-14/h3-5,9-10,14-16,18-19H,2,6-8,11-12H2,1H3,(H,20,21)