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

Systemtic Name: 2-[6-azanyl-9-methyl-8-[2,3,5-tris(fluoranyl)phenyl]purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-9-methyl-8-(2,3,5-trifluorophenyl)purin-2-yl]-1-ethynyl-cyclopentanol Formula: C19H16F3N5O MolecularWeight: 387.35845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4F)F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC(=CC(=C4F)F)F

InChI

InChI=1S/C19H16F3N5O/c1-3-19(28)6-4-5-11(19)16-25-15(23)14-18(26-16)27(2)17(24-14)10-7-9(20)8-12(21)13(10)22/h1,7-8,11,28H,4-6H2,2H3,(H2,23,25,26)