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

Systemtic Name: 2-(2-methylpropylsulfanyl)-6-phenyl-5-propyl-1,3-diazinan-4-one Openeye Name: 2-isobutylsulfanyl-6-phenyl-5-propyl-hexahydropyrimidin-4-one CAS Name: 2-(2-methylpropylthio)-6-phenyl-5-propyl-1,3-diazinan-4-one IUPAC Name: 2-(2-methylpropylsulfanyl)-6-phenyl-5-propyl-1,3-diazinan-4-one Traditional Name: 2-(isobutylthio)-6-phenyl-5-propyl-hexahydropyrimidin-4-one Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCC1C(NC(NC1=O)SCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H26N2OS/c1-4-8-14-15(13-9-6-5-7-10-13)18-17(19-16(14)20)21-11-12(2)3/h5-7,9-10,12,14-15,17-18H,4,8,11H2,1-3H3,(H,19,20)