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

Systemtic Name: 2-[(5-butyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(5-butyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(5-butyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(5-butyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(5-butyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1C(NC(NC1=O)SC(CCCC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-3-5-12-15-17(14-10-8-7-9-11-14)21-20(22-18(15)23)26-16(19(24)25)13-6-4-2/h7-11,15-17,20-21H,3-6,12-13H2,1-2H3,(H,22,23)(H,24,25)