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

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

Systemtic Name:5-hexyl-6-phenyl-2-(phenylmethylsulfanyl)-1,3-diazinan-4-one
Openeye Name:2-benzylsulfanyl-5-hexyl-6-phenyl-hexahydropyrimidin-4-one
CAS Name:5-hexyl-6-phenyl-2-(phenylmethylthio)-1,3-diazinan-4-one
IUPAC Name:2-benzylsulfanyl-5-hexyl-6-phenyl-1,3-diazinan-4-one
Traditional Name:2-(benzylthio)-5-hexyl-6-phenyl-hexahydropyrimidin-4-one
Formula: C23H30N2OS
MolecularWeight: 382.5621
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCC2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C23H30N2OS/c1-2-3-4-11-16-20-21(19-14-9-6-10-15-19)24-23(25-22(20)26)27-17-18-12-7-5-8-13-18/h5-10,12-15,20-21,23-24H,2-4,11,16-17H2,1H3,(H,25,26)


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