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

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

Systemtic Name:5-hexyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one
Openeye Name:5-hexyl-2-pentylsulfanyl-6-phenyl-hexahydropyrimidin-4-one
CAS Name:5-hexyl-2-(pentylthio)-6-phenyl-1,3-diazinan-4-one
IUPAC Name:5-hexyl-2-pentylsulfanyl-6-phenyl-1,3-diazinan-4-one
Traditional Name:2-(amylthio)-5-hexyl-6-phenyl-hexahydropyrimidin-4-one
Formula: C21H34N2OS
MolecularWeight: 362.57246
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2


Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SCCCCC)C2=CC=CC=C2


InChI

InChI=1S/C21H34N2OS/c1-3-5-7-11-15-18-19(17-13-9-8-10-14-17)22-21(23-20(18)24)25-16-12-6-4-2/h8-10,13-14,18-19,21-22H,3-7,11-12,15-16H2,1-2H3,(H,23,24)


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