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

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

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

Isomeric SMILES

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

InChI

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