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

Systemtic Name: 2-[6-azanyl-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-8-(2-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclobutanol Formula: C18H16FN5O MolecularWeight: 337.350943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC=CC=C4F

InChI

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