3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: 3-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 3-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionate Formula: C13H11N2O3S- MolecularWeight: 275.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCC(=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c16-11-8-10(9-4-2-1-3-5-9)14-13(15-11)19-7-6-12(17)18/h1-5,8H,6-7H2,(H,17,18)(H,14,15,16)/p-1