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

Systemtic Name: 2-butylsulfanyl-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-butylsulfanyl-5-isopentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(butylthio)-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-butylsulfanyl-5-(3-methylbutyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 2-(butylthio)-5-isoamyl-6-phenyl-hexahydropyrimidin-4-one Formula: C19H30N2OS MolecularWeight: 334.5193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1NC(C(C(=O)N1)CCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCSC1NC(C(C(=O)N1)CCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H30N2OS/c1-4-5-13-23-19-20-17(15-9-7-6-8-10-15)16(18(22)21-19)12-11-14(2)3/h6-10,14,16-17,19-20H,4-5,11-13H2,1-3H3,(H,21,22)