2,4-dimethyl-6-naphthalen-1-yl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-naphthalen-1-yl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(1-naphthyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(1-naphthalenyl)-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-naphthalen-1-yl-7-(3-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(1-naphthyl)-7-(3-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C25H18N6O4 MolecularWeight: 466.44822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC5=CC=CC=C54)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC5=CC=CC=C54)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H18N6O4/c1-27-22-21(23(32)28(2)25(27)33)29-14-20(16-9-5-10-17(13-16)31(34)35)30(24(29)26-22)19-12-6-8-15-7-3-4-11-18(15)19/h3-14H,1-2H3