4-azanyl-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidic acid

Systemtic Name: 4-azanyl-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidic acid Openeye Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidic acid CAS Name: 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonimidic acid IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidic acid Traditional Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonimidic acid Formula: C12H14N4O4S MolecularWeight: 310.32896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)N=S(=O)(C2=CC=C(C=C2)N)O)OC

Isomeric SMILES

COC1=NC(=NC(=C1)N=S(=O)(C2=CC=C(C=C2)N)O)OC

InChI

InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16,17,18)