4-tert-butyl-N-(5-chloranyl-2-purin-9-yl-pyridin-3-yl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(5-chloranyl-2-purin-9-yl-pyridin-3-yl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(5-chloro-2-purin-9-yl-3-pyridyl)benzenesulfonamide CAS Name: 4-tert-butyl-N-[5-chloro-2-(9-purinyl)-3-pyridinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(5-chloro-2-purin-9-ylpyridin-3-yl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(5-chloro-2-purin-9-yl-3-pyridyl)benzenesulfonamide Formula: C20H19ClN6O2S MolecularWeight: 442.92186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CN=C2N3C=NC4=CN=CN=C43)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CN=C2N3C=NC4=CN=CN=C43)Cl

InChI

InChI=1S/C20H19ClN6O2S/c1-20(2,3)13-4-6-15(7-5-13)30(28,29)26-16-8-14(21)9-23-18(16)27-12-25-17-10-22-11-24-19(17)27/h4-12,26H,1-3H3