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

Systemtic Name: 2-[[5-(2-methylpropyl)-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Openeye Name: 2-(5-isobutyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[[5-(2-methylpropyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]thio]hexanoic acid IUPAC Name: 2-[[5-(2-methylpropyl)-4-oxo-6-phenyl-1,3-diazinan-2-yl]sulfanyl]hexanoic acid Traditional Name: 2-[(5-isobutyl-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:

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)SC1NC(C(C(=O)N1)CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-4-5-11-16(19(24)25)26-20-21-17(14-9-7-6-8-10-14)15(12-13(2)3)18(23)22-20/h6-10,13,15-17,20-21H,4-5,11-12H2,1-3H3,(H,22,23)(H,24,25)