3-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-dione

Systemtic Name: 3-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-dione Openeye Name: 3-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-dione CAS Name: 3-(3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)-6-ethynyl-1-methylpyrimidine-2,4-dione IUPAC Name: 3-(3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)-6-ethynyl-1-methylpyrimidine-2,4-dione Traditional Name: 3-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-quinone Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C([N+](=C1)[O-])N2C(=O)C=C(N(C2=O)C)C#C)C

Isomeric SMILES

CC1=CC(=C([N+](=C1)[O-])N2C(=O)C=C(N(C2=O)C)C#C)C

InChI

InChI=1S/C14H13N3O3/c1-5-11-7-12(18)17(14(19)15(11)4)13-10(3)6-9(2)8-16(13)20/h1,6-8H,2-4H3