6-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-hex-5-yn-3-ol

Systemtic Name: 6-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-hex-5-yn-3-ol Openeye Name: 6-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-hex-5-yn-3-ol CAS Name: 6-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-3-ethyl-5-hexyn-3-ol IUPAC Name: 6-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-3-ethylhex-5-yn-3-ol Traditional Name: 6-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-hex-5-yn-3-ol Formula: C22H26FN5O MolecularWeight: 395.473143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C#CCC(CC)(CC)O)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C#CCC(CC)(CC)O)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN5O/c1-4-13-28-20(15-9-7-10-16(23)14-15)27-18-19(24)25-17(26-21(18)28)11-8-12-22(29,5-2)6-3/h7,9-10,14,29H,4-6,12-13H2,1-3H3,(H2,24,25,26)