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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCNCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCNCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl.Cl

InChI

InChI=1S/C19H19FN6O.2ClH/c1-26-17(12-3-2-4-13(20)11-12)25-15-16(21)23-14(24-18(15)26)5-6-19(27)7-9-22-10-8-19;;/h2-4,11,22,27H,7-10H2,1H3,(H2,21,23,24);2*1H