7-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C22H19ClN6O2 MolecularWeight: 434.87826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)Cl

InChI

InChI=1S/C22H19ClN6O2/c1-26-20-19(21(30)27(2)22(26)31)28(13-24-20)12-18-25-16-10-15(23)8-9-17(16)29(18)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3