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

Systemtic Name: 7-[1-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[1-[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[1-(1-benzyl-5-chloro-benzimidazol-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)N4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)N4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C23H21ClN6O2/c1-14(30-13-25-21-19(30)22(31)28(3)23(32)27(21)2)20-26-17-11-16(24)9-10-18(17)29(20)12-15-7-5-4-6-8-15/h4-11,13-14H,12H2,1-3H3