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

Systemtic Name: 3,7-dimethyl-1-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(5-nitro-1,3-dioxo-2-isoindolyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propyl]purine-2,6-dione Traditional Name: 1-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propyl]-3,7-dimethyl-xanthine Formula: C18H16N6O6 MolecularWeight: 412.35624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O6/c1-20-9-19-14-13(20)17(27)23(18(28)21(14)2)7-3-6-22-15(25)11-5-4-10(24(29)30)8-12(11)16(22)26/h4-5,8-9H,3,6-7H2,1-2H3