8-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(4-nitrophenyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-(4-nitrophenyl)-7H-xanthine Formula: C11H7N5O4 MolecularWeight: 273.20438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=O)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N5O4/c17-10-7-9(14-11(18)15-10)13-8(12-7)5-1-3-6(4-2-5)16(19)20/h1-4H,(H3,12,13,14,15,17,18)