9-butyl-N-(4-fluorophenyl)-6-pyridin-3-yloxy-purin-2-amine; methanesulfonate

Systemtic Name: 9-butyl-N-(4-fluorophenyl)-6-pyridin-3-yloxy-purin-2-amine; methanesulfonate Openeye Name: 9-butyl-N-(4-fluorophenyl)-6-(3-pyridyloxy)purin-2-amine; methanesulfonate CAS Name: 9-butyl-N-(4-fluorophenyl)-6-(3-pyridinyloxy)-2-purinamine; methanesulfonate IUPAC Name: 9-butyl-N-(4-fluorophenyl)-6-pyridin-3-yloxypurin-2-amine; methanesulfonate Traditional Name: [9-butyl-6-(3-pyridyloxy)purin-2-yl]-(4-fluorophenyl)amine mesylate Formula: C21H22FN6O4S- MolecularWeight: 473.500583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OC3=CN=CC=C3)NC4=CC=C(C=C4)F.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OC3=CN=CC=C3)NC4=CC=C(C=C4)F.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H19FN6O.CH4O3S/c1-2-3-11-27-13-23-17-18(27)25-20(24-15-8-6-14(21)7-9-15)26-19(17)28-16-5-4-10-22-12-16;1-5(2,3)4/h4-10,12-13H,2-3,11H2,1H3,(H,24,25,26);1H3,(H,2,3,4)/p-1