4-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol Formula: C19H20FN5O MolecularWeight: 353.393403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O/c1-4-10-25-17(12-6-5-7-13(20)11-12)24-15-16(21)22-14(23-18(15)25)8-9-19(2,3)26/h5-7,11,26H,4,10H2,1-3H3,(H2,21,22,23)