4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol dihydrochloride

Systemtic Name: 4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol dihydrochloride Openeye Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol dihydrochloride CAS Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-methyl-4-piperidinol dihydrochloride IUPAC Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]-1-methylpiperidin-4-ol dihydrochloride Traditional Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]-1-methyl-piperidin-4-ol dihydrochloride Formula: C20H23Cl2FN6O MolecularWeight: 453.340623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O.Cl.Cl

Isomeric SMILES

CN1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C)C4=CC(=CC=C4)F)O.Cl.Cl

InChI

InChI=1S/C20H21FN6O.2ClH/c1-26-10-8-20(28,9-11-26)7-6-15-23-17(22)16-19(24-15)27(2)18(25-16)13-4-3-5-14(21)12-13;;/h3-5,12,28H,8-11H2,1-2H3,(H2,22,23,24);2*1H