2-(3-methylbutylsulfanyl)-5-pentyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 2-(3-methylbutylsulfanyl)-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-isopentylsulfanyl-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(3-methylbutylthio)-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-(3-methylbutylsulfanyl)-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-(isoamylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C20H32N2OS MolecularWeight: 348.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCCC(C)C)C2=CC=CC=C2

InChI

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