2-[2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[2-[(5-acetamido-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(5-acetamido-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C16H17N5O5S MolecularWeight: 391.40168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=C(C(=O)N2)NC(=O)C)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=C(C(=O)N2)NC(=O)C)O

InChI

InChI=1S/C16H17N5O5S/c1-7(13(24)19-10-6-4-3-5-9(10)12(17)23)27-16-20-14(25)11(15(26)21-16)18-8(2)22/h3-7H,1-2H3,(H2,17,23)(H,18,22)(H,19,24)(H2,20,21,25,26)