3-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)benzenesulfonic acid

Systemtic Name: 3-(2-azanyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)benzenesulfonic acid Openeye Name: 3-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid CAS Name: 3-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid IUPAC Name: 3-(2-amino-5-nitro-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid Traditional Name: 3-(2-amino-4-keto-5-nitro-1H-pyrimidin-6-yl)besylic acid Formula: C10H8N4O6S MolecularWeight: 312.25872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C(=O)N=C(N2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O6S/c11-10-12-7(8(14(16)17)9(15)13-10)5-2-1-3-6(4-5)21(18,19)20/h1-4H,(H,18,19,20)(H3,11,12,13,15)