5-(6-chloranyl-7H-purin-8-yl)-2,4-dimethyl-benzenesulfonamide

Systemtic Name: 5-(6-chloranyl-7H-purin-8-yl)-2,4-dimethyl-benzenesulfonamide Openeye Name: 5-(6-chloro-7H-purin-8-yl)-2,4-dimethyl-benzenesulfonamide CAS Name: 5-(6-chloro-7H-purin-8-yl)-2,4-dimethylbenzenesulfonamide IUPAC Name: 5-(6-chloro-7H-purin-8-yl)-2,4-dimethylbenzenesulfonamide Traditional Name: 5-(6-chloro-7H-purin-8-yl)-2,4-dimethyl-benzenesulfonamide Formula: C13H12ClN5O2S MolecularWeight: 337.78468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NC3=C(N2)C(=NC=N3)Cl)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NC3=C(N2)C(=NC=N3)Cl)S(=O)(=O)N)C

InChI

InChI=1S/C13H12ClN5O2S/c1-6-3-7(2)9(22(15,20)21)4-8(6)12-18-10-11(14)16-5-17-13(10)19-12/h3-5H,1-2H3,(H2,15,20,21)(H,16,17,18,19)