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

Systemtic Name: 4-(2-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)benzenesulfonic acid Openeye Name: 4-(2-amino-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid CAS Name: 4-(2-amino-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid IUPAC Name: 4-(2-amino-4-oxo-1H-pyrimidin-6-yl)benzenesulfonic acid Traditional Name: 4-(2-amino-4-keto-1H-pyrimidin-6-yl)besylic acid Formula: C10H9N3O4S MolecularWeight: 267.26116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)N=C(N2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)N=C(N2)N)S(=O)(=O)O

InChI

InChI=1S/C10H9N3O4S/c11-10-12-8(5-9(14)13-10)6-1-3-7(4-2-6)18(15,16)17/h1-5H,(H,15,16,17)(H3,11,12,13,14)