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

Systemtic Name: 2,4,6-trimethyl-8-nitro-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4,6-trimethyl-8-nitro-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4,6-trimethyl-8-nitro-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4,6-trimethyl-8-nitro-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4,6-trimethyl-8-nitro-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C16H14N6O4 MolecularWeight: 354.32016

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O4/c1-18-10(9-7-5-4-6-8-9)13(22(25)26)21-11-12(17-15(18)21)19(2)16(24)20(3)14(11)23/h4-8H,1-3H3