N-[3-[[6-(4-pyridin-4-ylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-(4-pyridin-4-ylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-[4-(4-pyridyl)piperazin-1-yl]-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(4-pyridin-4-yl-1-piperazinyl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(4-pyridin-4-ylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-[4-(4-pyridyl)piperazino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C21H23N9O2S MolecularWeight: 465.53142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCN(CC4)C5=CC=NC=C5)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCN(CC4)C5=CC=NC=C5)NC=N3

InChI

InChI=1S/C21H23N9O2S/c1-33(31,32)28-16-4-2-3-15(13-16)25-21-26-19-18(23-14-24-19)20(27-21)30-11-9-29(10-12-30)17-5-7-22-8-6-17/h2-8,13-14,28H,9-12H2,1H3,(H2,23,24,25,26,27)