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

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(4-tert-butylphenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[(4-tert-butylphenyl)sulfonylamino]-7H-purin-6-olate Formula: C15H16N5O3S- MolecularWeight: 346.38424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O3S/c1-15(2,3)9-4-6-10(7-5-9)24(22,23)20-14-18-12-11(13(21)19-14)16-8-17-12/h4-8H,1-3H3,(H3,16,17,18,19,20,21)/p-1