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

Systemtic Name: 7-[2-(benzimidazol-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(benzimidazol-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-benzimidazolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(benzimidazol-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(benzimidazol-1-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C=NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C16H14N6O3/c1-19-14-13(15(24)20(2)16(19)25)21(8-18-14)7-12(23)22-9-17-10-5-3-4-6-11(10)22/h3-6,8-9H,7H2,1-2H3