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

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(4-oxo-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)thio]acetic acid IUPAC Name: 2-[(4-oxo-6-phenyl-5-propyl-1,3-diazinan-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-keto-6-phenyl-5-propyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c1-2-6-11-13(10-7-4-3-5-8-10)16-15(17-14(11)20)21-9-12(18)19/h3-5,7-8,11,13,15-16H,2,6,9H2,1H3,(H,17,20)(H,18,19)