3-[6-azanyl-8-(3-fluorophenyl)-2-(3-oxidanyloct-1-ynyl)purin-9-yl]benzenecarbonitrile

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-(3-oxidanyloct-1-ynyl)purin-9-yl]benzenecarbonitrile Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxyoct-1-ynyl)purin-9-yl]benzonitrile CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxyoct-1-ynyl)-9-purinyl]benzonitrile IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxyoct-1-ynyl)purin-9-yl]benzonitrile Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-(3-hydroxyoct-1-ynyl)purin-9-yl]benzonitrile Formula: C26H23FN6O MolecularWeight: 454.498823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1=NC2=C(C(=N1)N)N=C(N2C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F)O

Isomeric SMILES

CCCCCC(C#CC1=NC2=C(C(=N1)N)N=C(N2C3=CC=CC(=C3)C#N)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C26H23FN6O/c1-2-3-4-11-21(34)12-13-22-30-24(29)23-26(31-22)33(20-10-5-7-17(14-20)16-28)25(32-23)18-8-6-9-19(27)15-18/h5-10,14-15,21,34H,2-4,11H2,1H3,(H2,29,30,31)