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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(5-methyl-2-oxidanyl-phenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxy-5-methyl-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxy-5-methylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxy-5-methylphenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxy-5-methyl-phenyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H17BrN4O5 MolecularWeight: 485.28748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)N2C=C3C(=C2C4=C(C=CC(=C4)[N+](=O)[O-])Br)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H17BrN4O5/c1-11-4-7-17(27)15(8-11)25-10-16-18(20(28)24(3)21(29)23(16)2)19(25)13-9-12(26(30)31)5-6-14(13)22/h4-10,27H,1-3H3