2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-ethenyl-cyclopentan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-ethenyl-cyclopentan-1-ol hydrochloride Openeye Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-vinyl-cyclopentanol hydrochloride CAS Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-1-ethenyl-1-cyclopentanol hydrochloride IUPAC Name: 2-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-1-ethenylcyclopentan-1-ol hydrochloride Traditional Name: 2-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-1-vinyl-cyclopentanol hydrochloride Formula: C21H25ClFN5O MolecularWeight: 417.907503

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C=C)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C3CCCC3(C=C)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H24FN5O.ClH/c1-3-11-27-19(13-7-5-8-14(22)12-13)24-16-17(23)25-18(26-20(16)27)15-9-6-10-21(15,28)4-2;/h4-5,7-8,12,15,28H,2-3,6,9-11H2,1H3,(H2,23,25,26);1H