5-(3-methylbutyl)-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1NC(C(C(=O)N1)CCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCSC1NC(C(C(=O)N1)CCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H32N2OS/c1-4-5-9-14-24-20-21-18(16-10-7-6-8-11-16)17(19(23)22-20)13-12-15(2)3/h6-8,10-11,15,17-18,20-21H,4-5,9,12-14H2,1-3H3,(H,22,23)