4-chloranyl-N-[5-methyl-2-(7H-purin-6-ylcarbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-methyl-2-(7H-purin-6-ylcarbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: 4-chloro-N-[5-methyl-2-[oxo(7H-purin-6-yl)methyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 4-chloro-N-[5-methyl-2-(7H-purine-6-carbonyl)-3-pyridyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C19H12ClF3N6O3S MolecularWeight: 496.85019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)C(=O)C2=C3C(=NC=N2)N=CN3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N=C1)C(=O)C2=C3C(=NC=N2)N=CN3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C19H12ClF3N6O3S/c1-9-4-13(29-33(31,32)10-2-3-12(20)11(5-10)19(21,22)23)14(24-6-9)17(30)15-16-18(27-7-25-15)28-8-26-16/h2-8,29H,1H3,(H,25,26,27,28)