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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxyethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxyethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C16H15BrN4O5 MolecularWeight: 423.2181

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O5/c1-18-12-8-20(5-6-22)14(13(12)15(23)19(2)16(18)24)10-7-9(21(25)26)3-4-11(10)17/h3-4,7-8,22H,5-6H2,1-2H3