7-[2-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione

Systemtic Name: 7-[2-(5,6-dimethylbenzimidazol-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Openeye Name: 7-[2-(5,6-dimethylbenzimidazol-1-yl)-2-oxo-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione CAS Name: 7-[2-(5,6-dimethyl-1-benzimidazolyl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione IUPAC Name: 7-[2-(5,6-dimethylbenzimidazol-1-yl)-2-oxoethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-dione Traditional Name: 7-[2-(5,6-dimethylbenzimidazol-1-yl)-2-keto-ethyl]-1,3-dimethyl-9H-purin-7-ium-2,6-quinone Formula: C18H19N6O3+ MolecularWeight: 367.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C(=O)C[N+]3=CNC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C(=O)C[N+]3=CNC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H18N6O3/c1-10-5-12-13(6-11(10)2)24(9-19-12)14(25)7-23-8-20-16-15(23)17(26)22(4)18(27)21(16)3/h5-6,8-9H,7H2,1-4H3/p+1