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

Systemtic Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(oxolan-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(tetrahydrofuran-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(2-oxolanylmethyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(oxolan-2-ylmethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-7-(4-nitrophenyl)-6-(tetrahydrofurfuryl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H20N6O5 MolecularWeight: 424.41

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)CC4CCCO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4CCCO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5/c1-22-17-16(18(27)23(2)20(22)28)25-11-15(12-5-7-13(8-6-12)26(29)30)24(19(25)21-17)10-14-4-3-9-31-14/h5-8,11,14H,3-4,9-10H2,1-2H3