4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C17H16N10O2S2 MolecularWeight: 456.50474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N)C

InChI

InChI=1S/C17H16N10O2S2/c1-8-7-9(2)20-17(19-8)27-31(28,29)11-5-3-10(4-6-11)25-26-16-21-12-13(23-16)22-15(18)24-14(12)30/h3-7,12H,1-2H3,(H,19,20,27)(H3,18,21,22,23,24,30)