N-[2-[(4-azanylcyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-methyl-benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-methyl-benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethyl-6-purinyl)amino]phenyl]-N-methylbenzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-methylbenzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-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=CN=C2NC3=C(C(=CC=C3)N(C)S(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

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

InChI

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