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

Systemtic Name: (2R)-2-[[5-benzamido-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-benzamido-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-2-yl]thio]propanoate IUPAC Name: (2R)-2-[[5-benzamido-4-oxo-6-(propanoylamino)-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[(5-benzamido-4-keto-6-propionamido-1H-pyrimidin-2-yl)thio]propionate Formula: C17H17N4O5S- MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)S[C@H](C)C(=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O5S/c1-3-11(22)18-13-12(19-14(23)10-7-5-4-6-8-10)15(24)21-17(20-13)27-9(2)16(25)26/h4-9H,3H2,1-2H3,(H,19,23)(H,25,26)(H2,18,20,21,22,24)/p-1/t9-/m1/s1