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

Systemtic Name: 3,7-dimethyl-1-[3-(2-methyl-5-nitro-imidazol-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2-methyl-5-nitro-imidazol-1-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-methyl-5-nitro-1-imidazolyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(2-methyl-5-nitroimidazol-1-yl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(2-methyl-5-nitro-imidazol-1-yl)propyl]xanthine Formula: C14H17N7O4 MolecularWeight: 347.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O4/c1-9-15-7-10(21(24)25)19(9)5-4-6-20-13(22)11-12(16-8-17(11)2)18(3)14(20)23/h7-8H,4-6H2,1-3H3