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

Systemtic Name: 4-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Openeye Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride CAS Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-2-methyl-3-butyn-2-ol hydrochloride IUPAC Name: 4-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-2-methylbut-3-yn-2-ol hydrochloride Traditional Name: 4-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Formula: C19H21ClFN5O MolecularWeight: 389.854343

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O.ClH/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);1H