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

Systemtic Name: 3,6-dimethyl-5-nitro-1-(3-oxidanylpropyl)pyrimidine-2,4-dione Openeye Name: 1-(3-hydroxypropyl)-3,6-dimethyl-5-nitro-pyrimidine-2,4-dione CAS Name: 1-(3-hydroxypropyl)-3,6-dimethyl-5-nitropyrimidine-2,4-dione IUPAC Name: 1-(3-hydroxypropyl)-3,6-dimethyl-5-nitropyrimidine-2,4-dione Traditional Name: 1-(3-hydroxypropyl)-3,6-dimethyl-5-nitro-pyrimidine-2,4-quinone Formula: C9H13N3O5 MolecularWeight: 243.21662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1CCCO)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1CCCO)C)[N+](=O)[O-]

InChI

InChI=1S/C9H13N3O5/c1-6-7(12(16)17)8(14)10(2)9(15)11(6)4-3-5-13/h13H,3-5H2,1-2H3