1,3-dimethyl-6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]pyrimidine-2,4-quinone Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C12H13N3O3S/c1-13-9(7-10(16)14(2)12(13)17)8-19-11-5-3-4-6-15(11)18/h3-7H,8H2,1-2H3