2-[6-azanyl-9-methyl-8-[2,3,5-tris(fluoranyl)phenyl]purin-2-yl]-1-ethynyl-cyclobutan-1-ol

Systemtic Name: 2-[6-azanyl-9-methyl-8-[2,3,5-tris(fluoranyl)phenyl]purin-2-yl]-1-ethynyl-cyclobutan-1-ol Openeye Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol CAS Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)-2-purinyl]-1-ethynyl-1-cyclobutanol IUPAC Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynylcyclobutan-1-ol Traditional Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol Formula: C18H14F3N5O MolecularWeight: 373.33187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4F)F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC(=C4F)F)F

InChI

InChI=1S/C18H14F3N5O/c1-3-18(27)5-4-10(18)15-24-14(22)13-17(25-15)26(2)16(23-13)9-6-8(19)7-11(20)12(9)21/h1,6-7,10,27H,4-5H2,2H3,(H2,22,24,25)