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

Systemtic Name: 1-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-3-ethyl-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-3-ethylpent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride Formula: C21H25ClFN5O MolecularWeight: 417.907503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O.ClH/c1-4-12-27-19(14-8-7-9-15(22)13-14)26-17-18(23)24-16(25-20(17)27)10-11-21(28,5-2)6-3;/h7-9,13,28H,4-6,12H2,1-3H3,(H2,23,24,25);1H