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

Systemtic Name: 2-[1-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]ethenyl]cyclopentan-1-ol hydrochloride Openeye Name: 2-[1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]vinyl]cyclopentanol hydrochloride CAS Name: 2-[1-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]ethenyl]-1-cyclopentanol hydrochloride IUPAC Name: 2-[1-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethenyl]cyclopentan-1-ol hydrochloride Traditional Name: 2-[1-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]vinyl]cyclopentanol hydrochloride Formula: C19H21ClFN5O MolecularWeight: 389.854343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C(=C)C3CCCC3O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C(=C)C3CCCC3O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C19H20FN5O.ClH/c1-10(13-7-4-8-14(13)26)17-23-16(21)15-19(24-17)25(2)18(22-15)11-5-3-6-12(20)9-11;/h3,5-6,9,13-14,26H,1,4,7-8H2,2H3,(H2,21,23,24);1H