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

Systemtic Name: 6-cyclohexyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclohexyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclohexyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclohexyl-2,4-dimethyl-7-(4-nitrophenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclohexyl-2,4-dimethyl-7-(4-nitrophenyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4CCCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4CCCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4/c1-23-18-17(19(28)24(2)21(23)29)25-12-16(13-8-10-15(11-9-13)27(30)31)26(20(25)22-18)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3