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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(2-oxidanylpropan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxypropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(2-hydroxypropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(1-hydroxy-1-methyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C17H17BrN4O5 MolecularWeight: 437.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(C)(N1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C17H17BrN4O5/c1-17(2,25)21-8-12-13(15(23)20(4)16(24)19(12)3)14(21)10-7-9(22(26)27)5-6-11(10)18/h5-8,25H,1-4H3