9-(4-acetamidophenyl)sulfonyl-6-oxidanylidene-3H-purin-2-olate

Systemtic Name: 9-(4-acetamidophenyl)sulfonyl-6-oxidanylidene-3H-purin-2-olate Openeye Name: 9-(4-acetamidophenyl)sulfonyl-6-oxo-3H-purin-2-olate CAS Name: 9-(4-acetamidophenyl)sulfonyl-6-oxo-3H-purin-2-olate IUPAC Name: 9-(4-acetamidophenyl)sulfonyl-6-oxo-3H-purin-2-olate Traditional Name: 9-(4-acetamidophenyl)sulfonyl-6-keto-3H-purin-2-olate Formula: C13H10N5O5S- MolecularWeight: 348.314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[O-]

InChI

InChI=1S/C13H11N5O5S/c1-7(19)15-8-2-4-9(5-3-8)24(22,23)18-6-14-10-11(18)16-13(21)17-12(10)20/h2-6H,1H3,(H,15,19)(H2,16,17,20,21)/p-1