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

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Openeye Name: 2-(5-methyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylhexanoic acid CAS Name: 2-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]hexanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]hexanoic acid Traditional Name: 2-[(4-keto-5-methyl-6-phenyl-hexahydropyrimidin-2-yl)thio]hexanoic acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-3-4-10-13(16(21)22)23-17-18-14(11(2)15(20)19-17)12-8-6-5-7-9-12/h5-9,11,13-14,17-18H,3-4,10H2,1-2H3,(H,19,20)(H,21,22)