4-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[6-azanyl-8-[3,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(3,5-difluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(3,5-difluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(3,5-difluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C17H15F2N5O MolecularWeight: 343.330706

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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)F)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2N5O/c1-17(2,25)5-4-12-21-14(20)13-16(22-12)24(3)15(23-13)9-6-10(18)8-11(19)7-9/h6-8,25H,1-3H3,(H2,20,21,22)