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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-6-cycloheptyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-cycloheptyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-cycloheptyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-cycloheptyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-cycloheptyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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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)C4CCCCCC4

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4CCCCCC4

InChI

InChI=1S/C21H23BrN4O4/c1-23-17-12-25(13-7-5-3-4-6-8-13)19(18(17)20(27)24(2)21(23)28)15-11-14(26(29)30)9-10-16(15)22/h9-13H,3-8H2,1-2H3