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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(3-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(C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN5O/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10/h4-6,9,24H,1-3H3,(H2,19,20,21)