2-[6-azanyl-8-(3-fluorophenyl)-9-prop-2-enyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-prop-2-enyl-purin-2-yl]-1-ethynyl-cyclobutan-1-ol hydrochloride Openeye Name: 2-[9-allyl-6-amino-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-prop-2-enyl-2-purinyl]-1-ethynyl-1-cyclobutanol hydrochloride IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-prop-2-enylpurin-2-yl]-1-ethynylcyclobutan-1-ol hydrochloride Traditional Name: 2-[9-allyl-6-amino-8-(3-fluorophenyl)purin-2-yl]-1-ethynyl-cyclobutanol hydrochloride Formula: C20H19ClFN5O MolecularWeight: 399.849163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

C=CCN1C2=C(C(=NC(=N2)C3CCC3(C#C)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C20H18FN5O.ClH/c1-3-10-26-18(12-6-5-7-13(21)11-12)23-15-16(22)24-17(25-19(15)26)14-8-9-20(14,27)4-2;/h2-3,5-7,11,14,27H,1,8-10H2,(H2,22,24,25);1H