4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-thiazol-2-yl-benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]-N-(2-thiazolyl)benzenesulfonamide IUPAC Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-thiazol-2-yl-benzenesulfonamide Formula: C14H11N9O2S3 MolecularWeight: 433.49124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=NC3C(=N2)NC(=NC3=S)N)S(=O)(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC(=CC=C1N=NC2=NC3C(=N2)NC(=NC3=S)N)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C14H11N9O2S3/c15-12-18-10-9(11(26)20-12)17-13(19-10)22-21-7-1-3-8(4-2-7)28(24,25)23-14-16-5-6-27-14/h1-6,9H,(H,16,23)(H3,15,17,18,19,20,26)