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

Systemtic Name: 5-cyclopentyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-cyclopentyl-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-cyclopentyl-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-cyclopentyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(amylthio)-5-cyclopentyl-6-phenyl-hexahydropyrimidin-4-one Formula: C20H30N2OS MolecularWeight: 346.53

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)C2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)C2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2OS/c1-2-3-9-14-24-20-21-18(16-12-5-4-6-13-16)17(19(23)22-20)15-10-7-8-11-15/h4-6,12-13,15,17-18,20-21H,2-3,7-11,14H2,1H3,(H,22,23)