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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C18H16FN5O.ClH/c1-24-16(11-4-2-5-12(19)10-11)23-14-15(20)21-13(22-17(14)24)6-9-18(25)7-3-8-18;/h2,4-5,10,25H,3,7-8H2,1H3,(H2,20,21,22);1H