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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(2-methyl-1-oxidanyl-propan-2-yl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxy-1,1-dimethyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(2-hydroxy-1,1-dimethyl-ethyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C18H19BrN4O5 MolecularWeight: 451.27126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O5/c1-18(2,9-24)22-8-13-14(16(25)21(4)17(26)20(13)3)15(22)11-7-10(23(27)28)5-6-12(11)19/h5-8,24H,9H2,1-4H3