3-(pyrimidin-4-ylamino)benzenesulfonic acid

Systemtic Name: 3-(pyrimidin-4-ylamino)benzenesulfonic acid Openeye Name: 3-(pyrimidin-4-ylamino)benzenesulfonic acid CAS Name: 3-(4-pyrimidinylamino)benzenesulfonic acid IUPAC Name: 3-(pyrimidin-4-ylamino)benzenesulfonic acid Traditional Name: 3-(4-pyrimidylamino)besylic acid Formula: C10H9N3O3S MolecularWeight: 251.26176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC=NC=C2

InChI

InChI=1S/C10H9N3O3S/c14-17(15,16)9-3-1-2-8(6-9)13-10-4-5-11-7-12-10/h1-7H,(H,11,12,13)(H,14,15,16)