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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-2-[2-(1-oxidanylcyclohexyl)ethynyl]purin-9-yl]butanamide Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]butanamide CAS Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]-9-purinyl]butanamide IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]butanamide Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-2-[2-(1-hydroxycyclohexyl)ethynyl]purin-9-yl]butyramide Formula: C23H25FN6O2 MolecularWeight: 436.482003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)N)C4=CC(=CC=C4)F)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=NC3=C(C(=N2)N)N=C(N3CCCC(=O)N)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C23H25FN6O2/c24-16-7-4-6-15(14-16)21-29-19-20(26)27-18(9-12-23(32)10-2-1-3-11-23)28-22(19)30(21)13-5-8-17(25)31/h4,6-7,14,32H,1-3,5,8,10-11,13H2,(H2,25,31)(H2,26,27,28)