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

Systemtic Name: 3,7-dimethyl-1-[3-(5-nitro-2-oxidanylidene-pyridin-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(5-nitro-2-oxo-1-pyridyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(5-nitro-2-oxo-1-pyridinyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(5-nitro-2-oxopyridin-1-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(2-keto-5-nitro-1-pyridyl)propyl]-3,7-dimethyl-xanthine Formula: C15H16N6O5 MolecularWeight: 360.32474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O5/c1-17-9-16-13-12(17)14(23)20(15(24)18(13)2)7-3-6-19-8-10(21(25)26)4-5-11(19)22/h4-5,8-9H,3,6-7H2,1-2H3