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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]benzamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]benzamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide Formula: C26H23FN6O2 MolecularWeight: 470.498223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC(=C4)C(=O)N)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3C4=CC=CC(=C4)C(=O)N)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C26H23FN6O2/c27-18-8-4-7-17(14-18)24-32-21-22(28)30-20(10-13-26(35)11-2-1-3-12-26)31-25(21)33(24)19-9-5-6-16(15-19)23(29)34/h4-9,14-15,35H,1-3,11-12H2,(H2,29,34)(H2,28,30,31)