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

Systemtic Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate CAS Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]propanoate IUPAC Name: (2R)-2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(6-acetamido-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]propionate Formula: C16H15N4O5S- MolecularWeight: 375.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N4O5S/c1-8(15(24)25)26-16-19-12(17-9(2)21)11(14(23)20-16)18-13(22)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,18,22)(H,24,25)(H2,17,19,20,21,23)/p-1/t8-/m1/s1