methyl 2-[4-methyl-6-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-methyl-6-(1-methyl-6-oxidanylidene-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-methyl-6-(1-methyl-6-oxo-pyridazin-3-yl)oxy-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-methyl-6-[(1-methyl-6-oxo-3-pyridazinyl)oxy]-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-methyl-6-(1-methyl-6-oxopyridazin-3-yl)oxypyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(6-keto-1-methyl-pyridazin-3-yl)oxy-6-methyl-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC)OC2=NN(C(=O)C=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OC)OC2=NN(C(=O)C=C2)C

InChI

InChI=1S/C13H14N4O4S/c1-8-6-10(15-13(14-8)22-7-12(19)20-3)21-9-4-5-11(18)17(2)16-9/h4-6H,7H2,1-3H3