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

Systemtic Name: 1,3-dimethyl-7-[2-(2-methylbenzimidazol-1-yl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-methylbenzimidazol-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-methyl-1-benzimidazolyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(2-methylbenzimidazol-1-yl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H16N6O3/c1-10-19-11-6-4-5-7-12(11)23(10)13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2/h4-7,9H,8H2,1-3H3