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

Systemtic Name: 2-[6-azanyl-8-(3-fluoranyl-2-methyl-phenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(3-fluoro-2-methyl-phenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(3-fluoro-2-methylphenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(3-fluoro-2-methylphenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(3-fluoro-2-methyl-phenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C20H20FN5O MolecularWeight: 365.404103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C2=NC3=C(N2C)N=C(N=C3N)C4CCCC4(C#C)O

Isomeric SMILES

CC1=C(C=CC=C1F)C2=NC3=C(N2C)N=C(N=C3N)C4CCCC4(C#C)O

InChI

InChI=1S/C20H20FN5O/c1-4-20(27)10-6-8-13(20)17-24-16(22)15-19(25-17)26(3)18(23-15)12-7-5-9-14(21)11(12)2/h1,5,7,9,13,27H,6,8,10H2,2-3H3,(H2,22,24,25)