2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate

Systemtic Name: 2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[(4-acetamidophenyl)sulfonylamino]-7H-purin-6-olate Formula: C13H11N6O4S- MolecularWeight: 347.32924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3

InChI

InChI=1S/C13H12N6O4S/c1-7(20)16-8-2-4-9(5-3-8)24(22,23)19-13-17-11-10(12(21)18-13)14-6-15-11/h2-6H,1H3,(H,16,20)(H3,14,15,17,18,19,21)/p-1