9-cyclopentyl-8-[1-(phenylsulfonyl)piperidin-4-yl]purine-2,6-diamine

Systemtic Name: 9-cyclopentyl-8-[1-(phenylsulfonyl)piperidin-4-yl]purine-2,6-diamine Openeye Name: 8-[1-(benzenesulfonyl)-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: 8-[1-(benzenesulfonyl)-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 8-[1-(benzenesulfonyl)piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: [2-amino-8-(1-besyl-4-piperidyl)-9-cyclopentyl-purin-6-yl]amine Formula: C21H27N7O2S MolecularWeight: 441.54978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C2N=C(N=C3N)N)C4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H27N7O2S/c22-18-17-20(26-21(23)25-18)28(15-6-4-5-7-15)19(24-17)14-10-12-27(13-11-14)31(29,30)16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H4,22,23,25,26)