6-[(2-bromanyl-4,6-dimethoxy-phenyl)amino]-2-methyl-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[(2-bromanyl-4,6-dimethoxy-phenyl)amino]-2-methyl-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(2-bromo-4,6-dimethoxy-anilino)-2-methyl-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(2-bromo-4,6-dimethoxyanilino)-2-methyl-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(2-bromo-4,6-dimethoxyanilino)-2-methyl-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(2-bromo-4,6-dimethoxy-anilino)-2-methyl-5-nitro-1H-pyrimidin-4-one Formula: C13H13BrN4O5 MolecularWeight: 385.17012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)NC2=C(C=C(C=C2Br)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)NC2=C(C=C(C=C2Br)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN4O5/c1-6-15-12(11(18(20)21)13(19)16-6)17-10-8(14)4-7(22-2)5-9(10)23-3/h4-5H,1-3H3,(H2,15,16,17,19)