N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-[4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide Openeye Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide CAS Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]phenyl]-N-methylbenzenesulfonamide IUPAC Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]phenyl]-N-methylbenzenesulfonamide Traditional Name: N-[4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]phenyl]-N-methyl-benzenesulfonamide Formula: C26H32N8O2S MolecularWeight: 520.64968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)N(C)S(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C26H32N8O2S/c1-3-34-17-28-23-24(31-26(32-25(23)34)30-20-11-9-18(27)10-12-20)29-19-13-15-21(16-14-19)33(2)37(35,36)22-7-5-4-6-8-22/h4-8,13-18,20H,3,9-12,27H2,1-2H3,(H2,29,30,31,32)