2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate

Systemtic Name: 2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate Openeye Name: 2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate CAS Name: 2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate IUPAC Name: 2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate Traditional Name: 2-[(2,4,5-trimethylphenyl)sulfonylamino]-7H-purin-6-olate Formula: C14H14N5O3S- MolecularWeight: 332.35766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)NC2=NC3=C(C(=N2)[O-])NC=N3)C

InChI

InChI=1S/C14H15N5O3S/c1-7-4-9(3)10(5-8(7)2)23(21,22)19-14-17-12-11(13(20)18-14)15-6-16-12/h4-6H,1-3H3,(H3,15,16,17,18,19,20)/p-1