6-(bromomethyl)-3-methyl-5-nitro-1-(3-oxidanylpropyl)pyrimidine-2,4-dione

Systemtic Name: 6-(bromomethyl)-3-methyl-5-nitro-1-(3-oxidanylpropyl)pyrimidine-2,4-dione Openeye Name: 6-(bromomethyl)-1-(3-hydroxypropyl)-3-methyl-5-nitro-pyrimidine-2,4-dione CAS Name: 6-(bromomethyl)-1-(3-hydroxypropyl)-3-methyl-5-nitropyrimidine-2,4-dione IUPAC Name: 6-(bromomethyl)-1-(3-hydroxypropyl)-3-methyl-5-nitropyrimidine-2,4-dione Traditional Name: 6-(bromomethyl)-1-(3-hydroxypropyl)-3-methyl-5-nitro-pyrimidine-2,4-quinone Formula: C9H12BrN3O5 MolecularWeight: 322.11268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CCCO)CBr)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CCCO)CBr)[N+](=O)[O-]

InChI

InChI=1S/C9H12BrN3O5/c1-11-8(15)7(13(17)18)6(5-10)12(9(11)16)3-2-4-14/h14H,2-5H2,1H3