4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]oxan-4-ol

Systemtic Name: 4-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]oxan-4-ol Openeye Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-4-oxanol IUPAC Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]oxan-4-ol Traditional Name: 4-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]tetrahydropyran-4-ol Formula: C19H18FN5O2 MolecularWeight: 367.376923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCOCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCOCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C19H18FN5O2/c1-25-17(12-3-2-4-13(20)11-12)24-15-16(21)22-14(23-18(15)25)5-6-19(26)7-9-27-10-8-19/h2-4,11,26H,7-10H2,1H3,(H2,21,22,23)