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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentan-1-ol Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclopentanol IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclopentan-1-ol Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclopentanol Formula: C19H18FN5O MolecularWeight: 351.377523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O/c1-3-19(26)9-5-8-13(19)16-23-15(21)14-18(24-16)25(2)17(22-14)11-6-4-7-12(20)10-11/h1,4,6-7,10,13,26H,5,8-9H2,2H3,(H2,21,23,24)