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

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]piperidin-4-ol dihydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]piperidin-4-ol dihydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-2-purinyl]-4-piperidinol dihydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methylpurin-2-yl]piperidin-4-ol dihydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-(3-fluorophenyl)-9-methyl-purin-2-yl]piperidin-4-ol dihydrochloride Formula: C19H21Cl2FN6O MolecularWeight: 439.314043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CC(CC(N3C#C)N)O)C4=CC(=CC=C4)F.Cl.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CC(CC(N3C#C)N)O)C4=CC(=CC=C4)F.Cl.Cl

InChI

InChI=1S/C19H19FN6O.2ClH/c1-3-26-15(8-13(27)9-16(26)21)17-22-10-14-19(24-17)25(2)18(23-14)11-5-4-6-12(20)7-11;;/h1,4-7,10,13,15-16,27H,8-9,21H2,2H3;2*1H