6-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-7H-purine

Systemtic Name: 6-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-7H-purine Openeye Name: 6-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]piperazin-1-yl]-7H-purine CAS Name: 6-[4-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]-7H-purine IUPAC Name: 6-[4-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-7H-purine Traditional Name: 6-[4-[1-(2-mesylbenzyl)-4-piperidyl]piperazino]-7H-purine Formula: C22H29N7O2S MolecularWeight: 455.57636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C4=NC=NC5=C4NC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N3CCN(CC3)C4=NC=NC5=C4NC=N5

InChI

InChI=1S/C22H29N7O2S/c1-32(30,31)19-5-3-2-4-17(19)14-27-8-6-18(7-9-27)28-10-12-29(13-11-28)22-20-21(24-15-23-20)25-16-26-22/h2-5,15-16,18H,6-14H2,1H3,(H,23,24,25,26)