1-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-2-methyl-3-butyn-2-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-2-methylbut-3-yn-2-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Formula: C19H21ClFN5O MolecularWeight: 389.854343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O.ClH/c1-4-9-25-17(12-7-6-8-13(20)10-12)24-15-16(21)22-14(23-18(15)25)11-19(3,26)5-2;/h2,6-8,10,26H,4,9,11H2,1,3H3,(H2,21,22,23);1H