5-(2-bromanyl-5-nitro-phenyl)-6-cyclohexyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-6-cyclohexyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-cyclohexyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-cyclohexyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-cyclohexyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-cyclohexyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C20H21BrN4O4 MolecularWeight: 461.30914

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4CCCCC4

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4CCCCC4

InChI

InChI=1S/C20H21BrN4O4/c1-22-16-11-24(12-6-4-3-5-7-12)18(17(16)19(26)23(2)20(22)27)14-10-13(25(28)29)8-9-15(14)21/h8-12H,3-7H2,1-2H3