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

Systemtic Name: 2-[(6-acetamido-5-benzamido-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)thio]acetate IUPAC Name: 2-[(6-acetamido-5-benzamido-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-acetamido-5-benzamido-4-keto-1H-pyrimidin-2-yl)thio]acetate Formula: C15H13N4O5S- MolecularWeight: 361.35252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5S/c1-8(20)16-12-11(17-13(23)9-5-3-2-4-6-9)14(24)19-15(18-12)25-7-10(21)22/h2-6H,7H2,1H3,(H,17,23)(H,21,22)(H2,16,18,19,20,24)/p-1