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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-6-(4-ethylphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(4-ethylphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(4-ethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(4-ethylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(4-ethylphenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C22H19BrN4O4 MolecularWeight: 483.31466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H19BrN4O4/c1-4-13-5-7-14(8-6-13)26-12-18-19(21(28)25(3)22(29)24(18)2)20(26)16-11-15(27(30)31)9-10-17(16)23/h5-12H,4H2,1-3H3