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

Systemtic Name: 5-pentyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one Openeye Name: 2-benzylsulfanyl-5-pentyl-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-pentyl-6-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-one IUPAC Name: 2-benzylsulfanyl-5-pentyl-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-amyl-2-(benzylthio)-6-phenyl-hexahydropyrimidin-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-2-3-6-15-19-20(18-13-9-5-10-14-18)23-22(24-21(19)25)26-16-17-11-7-4-8-12-17/h4-5,7-14,19-20,22-23H,2-3,6,15-16H2,1H3,(H,24,25)