8-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: 8-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: 8-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: 8-[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 8-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-9-cyclopentylpurine-2,6-diamine Traditional Name: [2-amino-8-[1-(4-tert-butylphenyl)sulfonyl-4-piperidyl]-9-cyclopentyl-purin-6-yl]amine Formula: C25H35N7O2S MolecularWeight: 497.6561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3C5CCCC5)N=C(N=C4N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C3=NC4=C(N3C5CCCC5)N=C(N=C4N)N

InChI

InChI=1S/C25H35N7O2S/c1-25(2,3)17-8-10-19(11-9-17)35(33,34)31-14-12-16(13-15-31)22-28-20-21(26)29-24(27)30-23(20)32(22)18-6-4-5-7-18/h8-11,16,18H,4-7,12-15H2,1-3H3,(H4,26,27,29,30)