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

Systemtic Name: 2-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-1-ethenyl-cyclobutan-1-ol hydrochloride Openeye Name: 2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclobutanol hydrochloride CAS Name: 2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]-1-ethenyl-1-cyclobutanol hydrochloride IUPAC Name: 2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-1-ethenylcyclobutan-1-ol hydrochloride Traditional Name: 2-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-1-vinyl-cyclobutanol hydrochloride Formula: C20H21ClFN5O MolecularWeight: 401.865043

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1(CCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC=C5)F)O.Cl

Isomeric SMILES

C=CC1(CCC1C2=NC3=C(C(=N2)N)N=C(N3C4CC4)C5=CC(=CC=C5)F)O.Cl

InChI

InChI=1S/C20H20FN5O.ClH/c1-2-20(27)9-8-14(20)17-24-16(22)15-19(25-17)26(13-6-7-13)18(23-15)11-4-3-5-12(21)10-11;/h2-5,10,13-14,27H,1,6-9H2,(H2,22,24,25);1H