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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-butyn-2-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-yn-2-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-yn-2-ol hydrochloride Formula: C17H17ClFN5O MolecularWeight: 361.801183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16FN5O.ClH/c1-4-17(2,24)9-12-20-14(19)13-16(21-12)23(3)15(22-13)10-6-5-7-11(18)8-10;/h1,5-8,24H,9H2,2-3H3,(H2,19,20,21);1H