9-butyl-6-ethoxy-N-(2-fluoranyl-4-propan-2-yloxy-phenyl)purin-2-amine; methanesulfonic acid

Systemtic Name: 9-butyl-6-ethoxy-N-(2-fluoranyl-4-propan-2-yloxy-phenyl)purin-2-amine; methanesulfonic acid Openeye Name: 9-butyl-6-ethoxy-N-(2-fluoro-4-isopropoxy-phenyl)purin-2-amine; methanesulfonic acid CAS Name: 9-butyl-6-ethoxy-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-purinamine; methanesulfonic acid IUPAC Name: 9-butyl-6-ethoxy-N-(2-fluoro-4-propan-2-yloxyphenyl)purin-2-amine; methanesulfonic acid Traditional Name: (9-butyl-6-ethoxy-purin-2-yl)-(2-fluoro-4-isopropoxy-phenyl)amine; mesylic acid Formula: C21H30FN5O5S MolecularWeight: 483.556803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2OCC)NC3=C(C=C(C=C3)OC(C)C)F.CS(=O)(=O)O

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2OCC)NC3=C(C=C(C=C3)OC(C)C)F.CS(=O)(=O)O

InChI

InChI=1S/C20H26FN5O2.CH4O3S/c1-5-7-10-26-12-22-17-18(26)24-20(25-19(17)27-6-2)23-16-9-8-14(11-15(16)21)28-13(3)4;1-5(2,3)4/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,24,25);1H3,(H,2,3,4)