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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCC3)O)N)N=C1C4=CC=CC=C4F

InChI

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