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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]benzenecarboximidamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamidine CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]benzenecarboximidamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzenecarboximidamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzamidine Formula: C26H24FN7O MolecularWeight: 469.513463

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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(=N)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(=N)N)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C26H24FN7O/c27-18-8-4-7-17(14-18)24-33-21-23(30)31-20(10-13-26(35)11-2-1-3-12-26)32-25(21)34(24)19-9-5-6-16(15-19)22(28)29/h4-9,14-15,35H,1-3,11-12H2,(H3,28,29)(H2,30,31,32)