2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4,6-trimethyl-8-nitro-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C16H13N7O6 MolecularWeight: 399.31772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H13N7O6/c1-18-10(8-4-6-9(7-5-8)22(26)27)13(23(28)29)21-11-12(17-15(18)21)19(2)16(25)20(3)14(11)24/h4-7H,1-3H3