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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-(3-oxidanylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-(3-hydroxypropyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN4O5/c1-19-13-9-21(6-3-7-23)15(14(13)16(24)20(2)17(19)25)11-8-10(22(26)27)4-5-12(11)18/h4-5,8-9,23H,3,6-7H2,1-2H3