1-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 1-[6-azanyl-8-[2,5-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 1-[6-amino-8-(2,5-difluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 1-[6-amino-8-(2,5-difluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 1-[6-amino-8-(2,5-difluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 1-[6-amino-8-(2,5-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(CC1=NC2=C(C(=N1)N)N=C(N2C)C3=C(C=CC(=C3)F)F)(C#C)O

Isomeric SMILES

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

InChI

InChI=1S/C17H15F2N5O/c1-4-17(2,25)8-12-21-14(20)13-16(22-12)24(3)15(23-13)10-7-9(18)5-6-11(10)19/h1,5-7,25H,8H2,2-3H3,(H2,20,21,22)