4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-butanamide

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-ethyl-butanamide Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-butanamide CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-ethylbutanamide IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethylbutanamide Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-ethyl-butyramide Formula: C25H29FN6O2 MolecularWeight: 464.535163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN6O2/c1-2-28-20(33)10-7-15-32-23(17-8-6-9-18(26)16-17)31-21-22(27)29-19(30-24(21)32)11-14-25(34)12-4-3-5-13-25/h6,8-9,16,34H,2-5,7,10,12-13,15H2,1H3,(H,28,33)(H2,27,29,30)