4-azanyl-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; phosphoric acid

Systemtic Name: 4-azanyl-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; phosphoric acid Openeye Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; phosphoric acid CAS Name: 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; phosphoric acid IUPAC Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; phosphoric acid Traditional Name: 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; phosphoric acid Formula: C12H23N4O16P3S MolecularWeight: 604.314503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C12H14N4O4S.3H3O4P/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9;3*1-5(2,3)4/h3-7H,13H2,1-2H3,(H,14,15,16);3*(H3,1,2,3,4)