methyl 2-(4-methyl-2-methylsulfanyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl)ethanoate

Systemtic Name: methyl 2-(4-methyl-2-methylsulfanyl-5-nitro-6-oxidanylidene-pyrimidin-1-yl)ethanoate Openeye Name: methyl 2-(4-methyl-2-methylsulfanyl-5-nitro-6-oxo-pyrimidin-1-yl)acetate CAS Name: 2-[4-methyl-2-(methylthio)-5-nitro-6-oxo-1-pyrimidinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-methyl-2-methylsulfanyl-5-nitro-6-oxopyrimidin-1-yl)acetate Traditional Name: 2-[6-keto-4-methyl-2-(methylthio)-5-nitro-pyrimidin-1-yl]acetic acid methyl ester Formula: C9H11N3O5S MolecularWeight: 273.26574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SC)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SC)CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O5S/c1-5-7(12(15)16)8(14)11(4-6(13)17-2)9(10-5)18-3/h4H2,1-3H3