8-chloranyl-1,3-dimethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]xanthine Formula: C13H14ClN7O4 MolecularWeight: 367.74776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN7O4/c1-7-15-6-8(21(24)25)19(7)4-5-20-9-10(16-12(20)14)17(2)13(23)18(3)11(9)22/h6H,4-5H2,1-3H3