1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)oxy-ethanone

Systemtic Name: 1-(3,5-dimethyl-5-oxidanyl-4H-pyrazol-1-yl)-2-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)oxy-ethanone Openeye Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)oxy-ethanone CAS Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-[[6-methyl-2-(methylthio)-4-pyrimidinyl]oxy]ethanone IUPAC Name: 1-(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyethanone Traditional Name: 1-(5-hydroxy-3,5-dimethyl-2-pyrazolin-1-yl)-2-[6-methyl-2-(methylthio)pyrimidin-4-yl]oxy-ethanone Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)O)C(=O)COC2=NC(=NC(=C2)C)SC

Isomeric SMILES

CC1=NN(C(C1)(C)O)C(=O)COC2=NC(=NC(=C2)C)SC

InChI

InChI=1S/C13H18N4O3S/c1-8-5-10(15-12(14-8)21-4)20-7-11(18)17-13(3,19)6-9(2)16-17/h5,19H,6-7H2,1-4H3