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4-[(E)-2-(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethenyl]benzoic acid

4-[(E)-2-(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethenyl]benzoic acid

Systemtic Name:4-[(E)-2-(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl)ethenyl]benzoic acid
Openeye Name:4-[(E)-2-(6-amino-2-oxo-1H-pyrimidin-5-yl)vinyl]benzoic acid
CAS Name:4-[(E)-2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethenyl]benzoic acid
IUPAC Name:4-[(E)-2-(6-amino-2-oxo-1H-pyrimidin-5-yl)ethenyl]benzoic acid
Traditional Name:4-[(E)-2-(6-amino-2-keto-1H-pyrimidin-5-yl)vinyl]benzoic acid
Formula: C13H11N3O3
MolecularWeight: 257.24474
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=C(NC(=O)N=C2)N)C(=O)O


Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=C(NC(=O)N=C2)N)C(=O)O


InChI

InChI=1S/C13H11N3O3/c14-11-10(7-15-13(19)16-11)6-3-8-1-4-9(5-2-8)12(17)18/h1-7H,(H,17,18)(H3,14,15,16,19)/b6-3+


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