1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-nitrophenyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-nitrophenyl)xanthine Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c1-15-11-10(12(19)16(2)13(15)20)17(7-14-11)8-5-3-4-6-9(8)18(21)22/h3-7H,1-2H3