2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]acetate IUPAC Name: 2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]acetate Formula: C16H15N4O5S- MolecularWeight: 375.3791

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4O5S/c1-2-10(21)17-13-12(18-14(24)9-6-4-3-5-7-9)15(25)20-16(19-13)26-8-11(22)23/h3-7H,2,8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20,21,25)/p-1