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

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-(brosylamino)-7H-purin-6-olate Formula: C11H7BrN5O3S- MolecularWeight: 369.17398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)Br

InChI

InChI=1S/C11H8BrN5O3S/c12-6-1-3-7(4-2-6)21(19,20)17-11-15-9-8(10(18)16-11)13-5-14-9/h1-5H,(H3,13,14,15,16,17,18)/p-1