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

Systemtic Name: 2-azanyl-5-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]benzenecarbonitrile Openeye Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzonitrile CAS Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]benzonitrile IUPAC Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzonitrile Traditional Name: 2-amino-5-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]benzonitrile Formula: C26H22FN7O MolecularWeight: 467.497583

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

InChI

InChI=1S/C26H22FN7O/c27-18-6-4-5-16(13-18)24-33-22-23(30)31-21(9-12-26(35)10-2-1-3-11-26)32-25(22)34(24)19-7-8-20(29)17(14-19)15-28/h4-8,13-14,35H,1-3,10-11,29H2,(H2,30,31,32)