(E)-4-[6-azanyl-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride

Systemtic Name: (E)-4-[6-azanyl-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Openeye Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride CAS Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-phenyl-2-purinyl]-2-methyl-3-buten-2-ol hydrochloride IUPAC Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-phenylpurin-2-yl]-2-methylbut-3-en-2-ol hydrochloride Traditional Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-phenyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Formula: C22H21ClFN5O MolecularWeight: 425.886443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=NC2=C(C(=N1)N)N=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

CC(C)(/C=C/C1=NC2=C(C(=N1)N)N=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C22H20FN5O.ClH/c1-22(2,29)12-11-17-25-19(24)18-21(26-17)28(16-9-4-3-5-10-16)20(27-18)14-7-6-8-15(23)13-14;/h3-13,29H,1-2H3,(H2,24,25,26);1H/b12-11+;