3,4-dimethyl-N-(6-oxidanylidene-3,7-dihydropurin-2-yl)benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-(6-oxidanylidene-3,7-dihydropurin-2-yl)benzenesulfonamide Openeye Name: 3,4-dimethyl-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide CAS Name: 3,4-dimethyl-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-(6-oxo-3,7-dihydropurin-2-yl)benzenesulfonamide Traditional Name: N-(6-keto-3,7-dihydropurin-2-yl)-3,4-dimethyl-benzenesulfonamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC(=O)C3=C(N2)N=CN3)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)