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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]-N-cyclopropyl-butanamide Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-cyclopropyl-butanamide CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]-N-cyclopropylbutanamide IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-cyclopropylbutanamide Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]-N-cyclopropyl-butyramide Formula: C26H29FN6O2 MolecularWeight: 476.545863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)NC4CC4)C5=CC(=CC=C5)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)NC4CC4)C5=CC(=CC=C5)F)O

InChI

InChI=1S/C26H29FN6O2/c27-18-7-4-6-17(16-18)24-32-22-23(28)30-20(11-14-26(35)12-2-1-3-13-26)31-25(22)33(24)15-5-8-21(34)29-19-9-10-19/h4,6-7,16,19,35H,1-3,5,8-10,12-13,15H2,(H,29,34)(H2,28,30,31)