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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-methoxy-prop-2-yn-1-ol Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-methoxy-prop-2-yn-1-ol CAS Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-methoxy-2-propyn-1-ol IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-methoxyprop-2-yn-1-ol Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-methoxy-prop-2-yn-1-ol Formula: C16H14FN5O2 MolecularWeight: 327.313063

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC(O)OC)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC(O)OC)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C16H14FN5O2/c1-22-15(9-4-3-5-10(17)8-9)21-13-14(18)19-11(20-16(13)22)6-7-12(23)24-2/h3-5,8,12,23H,1-2H3,(H2,18,19,20)