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

Systemtic Name: 3-(5-chloranyl-3,6-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-dione Openeye Name: 3-(5-chloro-3,6-dimethyl-1-oxido-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-dione CAS Name: 3-(5-chloro-3,6-dimethyl-1-oxido-2-pyridin-1-iumyl)-6-ethynyl-1-methylpyrimidine-2,4-dione IUPAC Name: 3-(5-chloro-3,6-dimethyl-1-oxidopyridin-1-ium-2-yl)-6-ethynyl-1-methylpyrimidine-2,4-dione Traditional Name: 3-(5-chloro-3,6-dimethyl-1-oxido-pyridin-1-ium-2-yl)-6-ethynyl-1-methyl-pyrimidine-2,4-quinone Formula: C14H12ClN3O3 MolecularWeight: 305.71638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C([N+](=C1N2C(=O)C=C(N(C2=O)C)C#C)[O-])C)Cl

Isomeric SMILES

CC1=CC(=C([N+](=C1N2C(=O)C=C(N(C2=O)C)C#C)[O-])C)Cl

InChI

InChI=1S/C14H12ClN3O3/c1-5-10-7-12(19)17(14(20)16(10)4)13-8(2)6-11(15)9(3)18(13)21/h1,6-7H,2-4H3