methyl 2-[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-(1,3-dimethyl-5-nitro-2,6-dioxo-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxo-4-pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-5-nitro-pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C9H11N3O6S MolecularWeight: 289.26514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])SCC(=O)OC

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])SCC(=O)OC

InChI

InChI=1S/C9H11N3O6S/c1-10-7(14)6(12(16)17)8(11(2)9(10)15)19-4-5(13)18-3/h4H2,1-3H3