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

Systemtic Name: 6-azanyl-1-ethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-ethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione CAS Name: 6-amino-1-ethyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-1-ethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-ethyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrimidine-2,4-quinone Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CCN1C(=C(C(=O)NC1=O)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C13H14N4O4S/c1-2-16-11(14)10(12(19)15-13(16)20)8(18)7-22-9-5-3-4-6-17(9)21/h3-6H,2,7,14H2,1H3,(H,15,19,20)