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

Systemtic Name: 2-[6-azanyl-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(2-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C19H18FN5O MolecularWeight: 351.377523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC=CC=C4F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC=CC=C4F

InChI

InChI=1S/C19H18FN5O/c1-3-19(26)10-6-8-12(19)16-23-15(21)14-18(24-16)25(2)17(22-14)11-7-4-5-9-13(11)20/h1,4-5,7,9,12,26H,6,8,10H2,2H3,(H2,21,23,24)