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

Systemtic Name: 3-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propane-1-sulfonamide Openeye Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propane-1-sulfonamide CAS Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-ethyl-1-propanesulfonamide IUPAC Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethylpropane-1-sulfonamide Traditional Name: 3-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-propane-1-sulfonamide Formula: C24H29FN6O3S MolecularWeight: 500.588863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)CCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CCNS(=O)(=O)CCCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C24H29FN6O3S/c1-2-27-35(33,34)15-7-14-31-22(17-8-6-9-18(25)16-17)30-20-21(26)28-19(29-23(20)31)10-13-24(32)11-4-3-5-12-24/h6,8-9,16,27,32H,2-5,7,11-12,14-15H2,1H3,(H2,26,28,29)