5-hexyl-2-(2-methylpropylsulfanyl)-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 5-hexyl-2-(2-methylpropylsulfanyl)-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-hexyl-2-isobutylsulfanyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-hexyl-2-(2-methylpropylthio)-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-hexyl-2-(2-methylpropylsulfanyl)-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-hexyl-2-(isobutylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C20H32N2OS MolecularWeight: 348.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H32N2OS/c1-4-5-6-10-13-17-18(16-11-8-7-9-12-16)21-20(22-19(17)23)24-14-15(2)3/h7-9,11-12,15,17-18,20-21H,4-6,10,13-14H2,1-3H3,(H,22,23)