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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-methyl-benzenesulfonamide Formula: C23H31N7O2S MolecularWeight: 469.60294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C23H31N7O2S/c1-15-6-12-19(13-7-15)33(31,32)29-21-20-22(30(14-25-20)18-4-2-3-5-18)28-23(27-21)26-17-10-8-16(24)9-11-17/h6-7,12-14,16-18H,2-5,8-11,24H2,1H3,(H2,26,27,28,29)