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

Systemtic Name: 2-(2-methylpropylsulfanyl)-5-pentyl-6-phenyl-1,3-diazinan-4-one Openeye Name: 2-isobutylsulfanyl-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 2-(2-methylpropylthio)-5-pentyl-6-phenyl-1,3-diazinan-4-one IUPAC Name: 2-(2-methylpropylsulfanyl)-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-(isobutylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C19H30N2OS MolecularWeight: 334.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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