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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol sulfate Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol sulfate CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol sulfate IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol sulfate Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol sulfate Formula: C19H18FN5O5S-2 MolecularWeight: 447.440123

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=C4)F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H18FN5O.H2O4S/c1-3-19(26)9-5-8-13(19)16-23-15(21)14-18(24-16)25(2)17(22-14)11-6-4-7-12(20)10-11;1-5(2,3)4/h1,4,6-7,10,13,26H,5,8-9H2,2H3,(H2,21,23,24);(H2,1,2,3,4)/p-2