4-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CCSC2=NC(=CC(=O)N2)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CCSC2=NC(=CC(=O)N2)O

InChI

InChI=1S/C14H14N4O4S/c15-13(22)8-1-3-9(4-2-8)16-10(19)5-6-23-14-17-11(20)7-12(21)18-14/h1-4,7H,5-6H2,(H2,15,22)(H,16,19)(H2,17,18,20,21)