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

Systemtic Name: 1-[2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentan-1-ol sulfate Openeye Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethynyl]cyclopentanol sulfate CAS Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclopentanol sulfate IUPAC Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol sulfate Traditional Name: 1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]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)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H18FN5O.H2O4S/c1-25-17(12-5-4-6-13(20)11-12)24-15-16(21)22-14(23-18(15)25)7-10-19(26)8-2-3-9-19;1-5(2,3)4/h4-6,11,26H,2-3,8-9H2,1H3,(H2,21,22,23);(H2,1,2,3,4)/p-2