8-(3-fluorophenyl)-9-(6-methoxypyridin-3-yl)-2-pent-1-ynyl-purin-6-amine

Systemtic Name: 8-(3-fluorophenyl)-9-(6-methoxypyridin-3-yl)-2-pent-1-ynyl-purin-6-amine Openeye Name: 8-(3-fluorophenyl)-9-(6-methoxy-3-pyridyl)-2-pent-1-ynyl-purin-6-amine CAS Name: 8-(3-fluorophenyl)-9-(6-methoxy-3-pyridinyl)-2-pent-1-ynyl-6-purinamine IUPAC Name: 8-(3-fluorophenyl)-9-(6-methoxypyridin-3-yl)-2-pent-1-ynylpurin-6-amine Traditional Name: [8-(3-fluorophenyl)-9-(6-methoxy-3-pyridyl)-2-pent-1-ynyl-purin-6-yl]amine Formula: C22H19FN6O MolecularWeight: 402.424263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3=CN=C(C=C3)OC)C4=CC(=CC=C4)F

Isomeric SMILES

CCCC#CC1=NC2=C(C(=N1)N)N=C(N2C3=CN=C(C=C3)OC)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H19FN6O/c1-3-4-5-9-17-26-20(24)19-22(27-17)29(16-10-11-18(30-2)25-13-16)21(28-19)14-7-6-8-15(23)12-14/h6-8,10-13H,3-4H2,1-2H3,(H2,24,26,27)