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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-bromo-benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-4-bromobenzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-4-bromobenzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-bromo-benzenesulfonamide Formula: C22H28BrN7O2S MolecularWeight: 534.47242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=C(C=C4)Br)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=C(C=C4)Br)NC5CCC(CC5)N

InChI

InChI=1S/C22H28BrN7O2S/c23-14-5-11-18(12-6-14)33(31,32)29-20-19-21(30(13-25-19)17-3-1-2-4-17)28-22(27-20)26-16-9-7-15(24)8-10-16/h5-6,11-13,15-17H,1-4,7-10,24H2,(H2,26,27,28,29)