1,3-dimethyl-7-[(E)-2-(5-nitrofuran-2-yl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(E)-2-(5-nitrofuran-2-yl)ethenyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(E)-2-(5-nitro-2-furyl)vinyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(E)-2-(5-nitro-2-furanyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(E)-2-(5-nitrofuran-2-yl)ethenyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(E)-2-(5-nitro-2-furyl)vinyl]xanthine Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O5/c1-15-11-10(12(19)16(2)13(15)20)17(7-14-11)6-5-8-3-4-9(23-8)18(21)22/h3-7H,1-2H3/b6-5+