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

Systemtic Name: 4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]oxan-4-ol hydrochloride Openeye Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]tetrahydropyran-4-ol hydrochloride CAS Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-4-oxanol hydrochloride IUPAC Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]oxan-4-ol hydrochloride Traditional Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]tetrahydropyran-4-ol hydrochloride Formula: C19H19ClFN5O2 MolecularWeight: 403.837863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCOCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCOCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C19H18FN5O2.ClH/c1-25-17(12-3-2-4-13(20)11-12)24-15-16(21)22-14(23-18(15)25)5-6-19(26)7-9-27-10-8-19;/h2-4,11,26H,7-10H2,1H3,(H2,21,22,23);1H