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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3S/c1-2-3-5-10-13-15(12-8-6-4-7-9-12)18-17(19-16(13)22)23-11-14(20)21/h4,6-9,13,15,17-18H,2-3,5,10-11H2,1H3,(H,19,22)(H,20,21)