1,3-dimethyl-6-[(2-methyl-5-oxidanylidene-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)sulfanylmethyl]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-[(2-methyl-5-oxidanylidene-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)sulfanylmethyl]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-[(2-methyl-5-oxo-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)sulfanylmethyl]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[[(2-methyl-5-oxo-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)thio]methyl]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-[(2-methyl-5-oxo-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)sulfanylmethyl]pyrimidine-2,4-dione Traditional Name: 6-[[(5-keto-2-methyl-1,4-dihydro-1,2,4-triazol-2-ium-3-yl)thio]methyl]-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C10H14N5O3S+ MolecularWeight: 284.31486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSC2=[N+](NC(=O)N2)C

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSC2=[N+](NC(=O)N2)C

InChI

InChI=1S/C10H13N5O3S/c1-13-6(4-7(16)14(2)10(13)18)5-19-9-11-8(17)12-15(9)3/h4H,5H2,1-3H3,(H,12,17)/p+1