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

Systemtic Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-hydroxyphenyl)-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H16N6O5 MolecularWeight: 432.38894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O5/c1-23-18-17(19(29)24(2)21(23)30)25-11-15(12-7-9-13(10-8-12)27(31)32)26(20(25)22-18)14-5-3-4-6-16(14)28/h3-11,28H,1-2H3