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

Systemtic Name: 2-[(5-heptyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(5-heptyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]acetic acid IUPAC Name: 2-[(5-heptyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-heptyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C19H28N2O3S/c1-2-3-4-5-9-12-15-17(14-10-7-6-8-11-14)20-19(21-18(15)24)25-13-16(22)23/h6-8,10-11,15,17,19-20H,2-5,9,12-13H2,1H3,(H,21,24)(H,22,23)