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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-propan-2-yl-butanamide Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-isopropyl-butanamide CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-propan-2-ylbutanamide IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-propan-2-ylbutanamide Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-isopropyl-butyramide Formula: C26H31FN6O2 MolecularWeight: 478.561743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31FN6O2/c1-17(2)29-21(34)10-7-15-33-24(18-8-6-9-19(27)16-18)32-22-23(28)30-20(31-25(22)33)11-14-26(35)12-4-3-5-13-26/h6,8-9,16-17,35H,3-5,7,10,12-13,15H2,1-2H3,(H,29,34)(H2,28,30,31)