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

Systemtic Name: 5-(2-bromanyl-5-nitro-phenyl)-6-butyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 5-(2-bromo-5-nitro-phenyl)-6-butyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 5-(2-bromo-5-nitrophenyl)-6-butyl-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 5-(2-bromo-5-nitro-phenyl)-6-butyl-1,3-dimethyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCN1C=C2C(=C1C3=C(C=CC(=C3)[N+](=O)[O-])Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H19BrN4O4/c1-4-5-8-22-10-14-15(17(24)21(3)18(25)20(14)2)16(22)12-9-11(23(26)27)6-7-13(12)19/h6-7,9-10H,4-5,8H2,1-3H3