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

Systemtic Name: N-[3-[(6-pyrrolidin-1-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide Openeye Name: N-[3-[(6-pyrrolidin-1-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(1-pyrrolidinyl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[(6-pyrrolidin-1-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide Traditional Name: N-[3-[(6-pyrrolidino-7H-purin-2-yl)amino]phenyl]methanesulfonamide Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCCC4)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCCC4)NC=N3

InChI

InChI=1S/C16H19N7O2S/c1-26(24,25)22-12-6-4-5-11(9-12)19-16-20-14-13(17-10-18-14)15(21-16)23-7-2-3-8-23/h4-6,9-10,22H,2-3,7-8H2,1H3,(H2,17,18,19,20,21)