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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-1,3-dimethyl-6-propyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-propyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-propylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-1,3-dimethyl-6-propylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-1,3-dimethyl-6-propyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H17BrN4O4/c1-4-7-21-9-13-14(16(23)20(3)17(24)19(13)2)15(21)11-8-10(22(25)26)5-6-12(11)18/h5-6,8-9H,4,7H2,1-3H3