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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclobutan-1-ol Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclobutanol CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclobutanol IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclobutan-1-ol Traditional Name: 1-[2-[6-amino-8-(3-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=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O/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)