2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[(3,4-dimethylphenyl)sulfonylamino]-7H-purin-6-olate Formula: C13H12N5O3S- MolecularWeight: 318.33108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C

InChI

InChI=1S/C13H13N5O3S/c1-7-3-4-9(5-8(7)2)22(20,21)18-13-16-11-10(12(19)17-13)14-6-15-11/h3-6H,1-2H3,(H3,14,15,16,17,18,19)/p-1