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5-heptyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one

5-heptyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one

Systemtic Name:5-heptyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one
Openeye Name:5-heptyl-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one
CAS Name:5-heptyl-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one
IUPAC Name:5-heptyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one
Traditional Name:2-(amylthio)-5-heptyl-6-phenyl-hexahydropyrimidin-4-one
Formula: C22H36N2OS
MolecularWeight: 376.59904
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2


Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2


InChI

InChI=1S/C22H36N2OS/c1-3-5-7-8-12-16-19-20(18-14-10-9-11-15-18)23-22(24-21(19)25)26-17-13-6-4-2/h9-11,14-15,19-20,22-23H,3-8,12-13,16-17H2,1-2H3,(H,24,25)


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