3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(3-methoxyphenyl)prop-2-yn-1-ol

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(3-methoxyphenyl)prop-2-yn-1-ol Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(3-methoxyphenyl)prop-2-yn-1-ol CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-(3-methoxyphenyl)-2-propyn-1-ol IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-(3-methoxyphenyl)prop-2-yn-1-ol Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-(3-methoxyphenyl)prop-2-yn-1-ol Formula: C22H18FN5O2 MolecularWeight: 403.409023

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(C3=CC(=CC=C3)OC)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(C3=CC(=CC=C3)OC)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5O2/c1-28-21(14-6-3-7-15(23)11-14)27-19-20(24)25-18(26-22(19)28)10-9-17(29)13-5-4-8-16(12-13)30-2/h3-8,11-12,17,29H,1-2H3,(H2,24,25,26)