1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-3-ethyl-1-pentyn-3-ol IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-3-ethylpent-1-yn-3-ol Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol Formula: C19H20FN5O MolecularWeight: 353.393403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O

Isomeric SMILES

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O

InChI

InChI=1S/C19H20FN5O/c1-4-19(26,5-2)10-9-14-22-16(21)15-18(23-14)25(3)17(24-15)12-7-6-8-13(20)11-12/h6-8,11,26H,4-5H2,1-3H3,(H2,21,22,23)