4-[3-chloranyl-4-[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzenesulfonamide

Systemtic Name: 4-[3-chloranyl-4-[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzenesulfonamide Openeye Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzenesulfonamide CAS Name: 4-[3-chloro-4-[[2-(4-cyanoanilino)-9-methyl-6-purinyl]oxy]-5-methylphenyl]benzenesulfonamide IUPAC Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-5-methylphenyl]benzenesulfonamide Traditional Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzenesulfonamide Formula: C26H20ClN7O3S MolecularWeight: 546.0001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N)Cl)OC3=NC(=NC4=C3N=CN4C)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)S(=O)(=O)N)Cl)OC3=NC(=NC4=C3N=CN4C)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H20ClN7O3S/c1-15-11-18(17-5-9-20(10-6-17)38(29,35)36)12-21(27)23(15)37-25-22-24(34(2)14-30-22)32-26(33-25)31-19-7-3-16(13-28)4-8-19/h3-12,14H,1-2H3,(H2,29,35,36)(H,31,32,33)