1-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(4-nitrophenyl)-7H-xanthine Formula: C11H7N5O4 MolecularWeight: 273.20438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(NC2=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(NC2=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O4/c17-10-8-9(13-5-12-8)14-11(18)15(10)6-1-3-7(4-2-6)16(19)20/h1-5H,(H,12,13)(H,14,18)