2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate

Systemtic Name: 2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[(3-cyanophenyl)sulfonylamino]-7H-purin-6-olate Formula: C12H7N6O3S- MolecularWeight: 315.28738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N6O3S/c13-5-7-2-1-3-8(4-7)22(20,21)18-12-16-10-9(11(19)17-12)14-6-15-10/h1-4,6H,(H3,14,15,16,17,18,19)/p-1