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

Systemtic Name: 2-[(5-ethyl-4-oxidanylidene-6-phenyl-1,3-diazinan-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-(5-ethyl-4-oxo-6-phenyl-hexahydropyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)thio]acetic acid IUPAC Name: 2-[(5-ethyl-4-oxo-6-phenyl-1,3-diazinan-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-ethyl-4-keto-6-phenyl-hexahydropyrimidin-2-yl)thio]acetic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCC1C(NC(NC1=O)SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O3S/c1-2-10-12(9-6-4-3-5-7-9)15-14(16-13(10)19)20-8-11(17)18/h3-7,10,12,14-15H,2,8H2,1H3,(H,16,19)(H,17,18)