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

Systemtic Name: 1-[6-azanyl-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-8-(2-fluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-8-(2-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-8-(2-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C17H16FN5O MolecularWeight: 325.340243

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=CC=C3F)(C#C)O

Isomeric SMILES

CC(CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=CC=C3F)(C#C)O

InChI

InChI=1S/C17H16FN5O/c1-4-17(2,24)9-12-20-14(19)13-16(21-12)23(3)15(22-13)10-7-5-6-8-11(10)18/h1,5-8,24H,9H2,2-3H3,(H2,19,20,21)