4-azanylbenzoic acid; 7H-purine-2,6-diamine; sulfuric acid

Systemtic Name: 4-azanylbenzoic acid; 7H-purine-2,6-diamine; sulfuric acid Openeye Name: 4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid CAS Name: 4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid IUPAC Name: 4-aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid Traditional Name: 4-aminobenzoic acid; (2-amino-7H-purin-6-yl)amine; sulfuric acid Formula: C12H15N7O6S MolecularWeight: 385.3558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N.C1=NC2=C(N1)C(=NC(=N2)N)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N.C1=NC2=C(N1)C(=NC(=N2)N)N.OS(=O)(=O)O

InChI

InChI=1S/C7H7NO2.C5H6N6.H2O4S/c8-6-3-1-5(2-4-6)7(9)10;6-3-2-4(9-1-8-2)11-5(7)10-3;1-5(2,3)4/h1-4H,8H2,(H,9,10);1H,(H5,6,7,8,9,10,11);(H2,1,2,3,4)