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

Systemtic Name: 2-[6-azanyl-8-[2,3-bis(fluoranyl)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(2,3-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(2,3-difluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(2,3-difluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(2,3-difluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C19H17F2N5O MolecularWeight: 369.367986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=C(C(=CC=C4)F)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=C(C(=CC=C4)F)F

InChI

InChI=1S/C19H17F2N5O/c1-3-19(27)9-5-7-11(19)16-24-15(22)14-18(25-16)26(2)17(23-14)10-6-4-8-12(20)13(10)21/h1,4,6,8,11,27H,5,7,9H2,2H3,(H2,22,24,25)