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2-[(5-hexyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid

2-[(5-hexyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid

Systemtic Name:2-[(5-hexyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid
Openeye Name:2-(5-hexyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid
CAS Name:2-[(5-hexyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid
IUPAC Name:2-[(5-hexyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid
Traditional Name:2-[(5-hexyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid
Formula: C22H34N2O3S
MolecularWeight: 406.58196
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2


Isomeric SMILES

CCCCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2


InChI

InChI=1S/C22H34N2O3S/c1-3-5-7-11-14-17-19(16-12-9-8-10-13-16)23-22(24-20(17)25)28-18(21(26)27)15-6-4-2/h8-10,12-13,17-19,22-23H,3-7,11,14-15H2,1-2H3,(H,24,25)(H,26,27)


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