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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-2-phenyl-ethanamide Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-2-phenyl-acetamide CAS Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-ethyl-2-phenylacetamide IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-2-phenylacetamide Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-2-phenyl-acetamide Formula: C29H29FN6O2 MolecularWeight: 512.577963

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C1=CC=CC=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

Isomeric SMILES

CCNC(=O)C(C1=CC=CC=C1)N2C3=C(C(=NC(=N3)C#CC4(CCCCC4)O)N)N=C2C5=CC(=CC=C5)F

InChI

InChI=1S/C29H29FN6O2/c1-2-32-28(37)24(19-10-5-3-6-11-19)36-26(20-12-9-13-21(30)18-20)35-23-25(31)33-22(34-27(23)36)14-17-29(38)15-7-4-8-16-29/h3,5-6,9-13,18,24,38H,2,4,7-8,15-16H2,1H3,(H,32,37)(H2,31,33,34)