2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclopentyl)ethynyl]purin-9-yl]-N-ethyl-cyclopentane-1-carboxamide

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclopentyl)ethynyl]purin-9-yl]-N-ethyl-cyclopentane-1-carboxamide Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]purin-9-yl]-N-ethyl-cyclopentanecarboxamide CAS Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-purinyl]-N-ethyl-1-cyclopentanecarboxamide IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]purin-9-yl]-N-ethylcyclopentane-1-carboxamide Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclopentyl)ethynyl]purin-9-yl]-N-ethyl-cyclopentanecarboxamide Formula: C26H29FN6O2 MolecularWeight: 476.545863

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCCC1N2C3=C(C(=NC(=N3)C#CC4(CCCC4)O)N)N=C2C5=CC(=CC=C5)F

Isomeric SMILES

CCNC(=O)C1CCCC1N2C3=C(C(=NC(=N3)C#CC4(CCCC4)O)N)N=C2C5=CC(=CC=C5)F

InChI

InChI=1S/C26H29FN6O2/c1-2-29-25(34)18-9-6-10-19(18)33-23(16-7-5-8-17(27)15-16)32-21-22(28)30-20(31-24(21)33)11-14-26(35)12-3-4-13-26/h5,7-8,15,18-19,35H,2-4,6,9-10,12-13H2,1H3,(H,29,34)(H2,28,30,31)