2-azanyl-5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]benzamide

Systemtic Name: 2-azanyl-5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]benzamide Openeye Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide CAS Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]benzamide IUPAC Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide Traditional Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamide Formula: C26H24FN7O2 MolecularWeight: 485.512863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN7O2/c27-16-6-4-5-15(13-16)24-33-21-22(29)31-20(9-12-26(36)10-2-1-3-11-26)32-25(21)34(24)17-7-8-19(28)18(14-17)23(30)35/h4-8,13-14,36H,1-3,10-11,28H2,(H2,30,35)(H2,29,31,32)