9-[(4-fluorophenyl)methyl]-8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-purine

Systemtic Name: 9-[(4-fluorophenyl)methyl]-8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanyl-purine Openeye Name: 9-[(4-fluorophenyl)methyl]-8-[[1-(p-tolylsulfonyl)-4-piperidyl]sulfanyl]purine CAS Name: 9-[(4-fluorophenyl)methyl]-8-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]thio]purine IUPAC Name: 9-[(4-fluorophenyl)methyl]-8-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]sulfanylpurine Traditional Name: 9-(4-fluorobenzyl)-8-[(1-tosyl-4-piperidyl)thio]purine Formula: C24H24FN5O2S2 MolecularWeight: 497.608063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CN=CN=C4N3CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)SC3=NC4=CN=CN=C4N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C24H24FN5O2S2/c1-17-2-8-21(9-3-17)34(31,32)29-12-10-20(11-13-29)33-24-28-22-14-26-16-27-23(22)30(24)15-18-4-6-19(25)7-5-18/h2-9,14,16,20H,10-13,15H2,1H3