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

Systemtic Name: N-[3-[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(4-methyl-1-piperazinyl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(4-methylpiperazin-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-(4-methylpiperazino)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C17H22N8O2S MolecularWeight: 402.47398

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C17H22N8O2S/c1-24-6-8-25(9-7-24)16-14-15(19-11-18-14)21-17(22-16)20-12-4-3-5-13(10-12)23-28(2,26)27/h3-5,10-11,23H,6-9H2,1-2H3,(H2,18,19,20,21,22)