2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-ethanamide Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-acetamide CAS Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-ethylacetamide IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethylacetamide Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-acetamide Formula: C23H25FN6O2 MolecularWeight: 436.482003

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCNC(=O)CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C23H25FN6O2/c1-2-26-18(31)14-30-21(15-7-6-8-16(24)13-15)29-19-20(25)27-17(28-22(19)30)9-12-23(32)10-4-3-5-11-23/h6-8,13,32H,2-5,10-11,14H2,1H3,(H,26,31)(H2,25,27,28)