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

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propanamide Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propanamide CAS Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-ethylpropanamide IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethylpropanamide Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propionamide Formula: C24H27FN6O2 MolecularWeight: 450.508583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)N1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCNC(=O)C(C)N1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN6O2/c1-3-27-23(32)15(2)31-21(16-8-7-9-17(25)14-16)30-19-20(26)28-18(29-22(19)31)10-13-24(33)11-5-4-6-12-24/h7-9,14-15,33H,3-6,11-12H2,1-2H3,(H,27,32)(H2,26,28,29)