2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclobutanol hydrochloride IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclobutan-1-ol hydrochloride Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride Formula: C18H17ClFN5O MolecularWeight: 373.811883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C18H16FN5O.ClH/c1-3-18(25)8-7-12(18)15-22-14(20)13-17(23-15)24(2)16(21-13)10-5-4-6-11(19)9-10;/h1,4-6,9,12,25H,7-8H2,2H3,(H2,20,22,23);1H