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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-4-ethoxybenzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-ethoxy-benzenesulfonamide Formula: C24H33N7O3S MolecularWeight: 499.62892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C24H33N7O3S/c1-2-34-19-11-13-20(14-12-19)35(32,33)30-22-21-23(31(15-26-21)18-5-3-4-6-18)29-24(28-22)27-17-9-7-16(25)8-10-17/h11-18H,2-10,25H2,1H3,(H2,27,28,29,30)