6-azanyl-1-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-methyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-methyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-methyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C12H12N4O4S/c1-15-10(13)9(11(18)14-12(15)19)7(17)6-21-8-4-2-3-5-16(8)20/h2-5H,6,13H2,1H3,(H,14,18,19)