4-[6-azanyl-9-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-ium-9-yl]butanamide

Systemtic Name: 4-[6-azanyl-9-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-ium-9-yl]butanamide Openeye Name: 4-[6-amino-9-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-ium-9-yl]butanamide CAS Name: 4-[6-amino-9-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purin-9-iumyl]butanamide IUPAC Name: 4-[6-amino-9-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-ium-9-yl]butanamide Traditional Name: 4-[6-amino-9-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-ium-9-yl]butyramide Formula: C23H26FN6O2+ MolecularWeight: 437.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC(=C3C(=N2)[N+](C=N3)(CCCC(=O)N)C4=CC(=CC=C4)F)N)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC(=C3C(=N2)[N+](C=N3)(CCCC(=O)N)C4=CC(=CC=C4)F)N)O

InChI

InChI=1S/C23H25FN6O2/c24-16-6-4-7-17(14-16)30(13-5-8-18(25)31)15-27-20-21(26)28-19(29-22(20)30)9-12-23(32)10-2-1-3-11-23/h4,6-7,14-15,32H,1-3,5,8,10-11,13H2,(H3-,25,26,28,29,31)/p+1