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

Systemtic Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(phenylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H18N6O4 MolecularWeight: 430.41612

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)CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O4/c1-24-19-18(20(29)25(2)22(24)30)27-13-17(15-8-10-16(11-9-15)28(31)32)26(21(27)23-19)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3