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

Systemtic Name: 3-(2-azanyl-5-bromanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenesulfonic acid; sodium Openeye Name: 3-(2-amino-5-bromo-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid; sodium CAS Name: 3-(2-amino-5-bromo-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid; sodium IUPAC Name: 3-(2-amino-5-bromo-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid; sodium Traditional Name: 3-(2-amino-5-bromo-4-keto-1H-pyrimidin-6-yl)besylic acid; sodium Formula: C10H8BrN3NaO4S MolecularWeight: 369.14699

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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)Br.[Na]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=C(C(=O)N=C(N2)N)Br.[Na]

InChI

InChI=1S/C10H8BrN3O4S.Na/c11-7-8(13-10(12)14-9(7)15)5-2-1-3-6(4-5)19(16,17)18;/h1-4H,(H,16,17,18)(H3,12,13,14,15);