4-[8-(3-fluorophenyl)-9-[(6-prop-2-enoxypyridin-3-yl)amino]purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[8-(3-fluorophenyl)-9-[(6-prop-2-enoxypyridin-3-yl)amino]purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[9-[(6-allyloxy-3-pyridyl)amino]-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[8-(3-fluorophenyl)-9-[(6-prop-2-enoxy-3-pyridinyl)amino]-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[8-(3-fluorophenyl)-9-[(6-prop-2-enoxypyridin-3-yl)amino]purin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[9-[(6-allyloxy-3-pyridyl)amino]-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C24H21FN6O2 MolecularWeight: 444.460943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=NC=C2C(=N1)N(C(=N2)C3=CC(=CC=C3)F)NC4=CN=C(C=C4)OCC=C)O

Isomeric SMILES

CC(C)(C#CC1=NC=C2C(=N1)N(C(=N2)C3=CC(=CC=C3)F)NC4=CN=C(C=C4)OCC=C)O

InChI

InChI=1S/C24H21FN6O2/c1-4-12-33-21-9-8-18(14-27-21)30-31-22(16-6-5-7-17(25)13-16)28-19-15-26-20(29-23(19)31)10-11-24(2,3)32/h4-9,13-15,30,32H,1,12H2,2-3H3