6-oxidanylidene-9-(2,4,6-trimethylphenyl)sulfonyl-3H-purin-2-olate

Systemtic Name: 6-oxidanylidene-9-(2,4,6-trimethylphenyl)sulfonyl-3H-purin-2-olate Openeye Name: 6-oxo-9-(2,4,6-trimethylphenyl)sulfonyl-3H-purin-2-olate CAS Name: 6-oxo-9-(2,4,6-trimethylphenyl)sulfonyl-3H-purin-2-olate IUPAC Name: 6-oxo-9-(2,4,6-trimethylphenyl)sulfonyl-3H-purin-2-olate Traditional Name: 6-keto-9-mesitylsulfonyl-3H-purin-2-olate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)[O-])C

InChI

InChI=1S/C14H14N4O4S/c1-7-4-8(2)11(9(3)5-7)23(21,22)18-6-15-10-12(18)16-14(20)17-13(10)19/h4-6H,1-3H3,(H2,16,17,19,20)/p-1