ethyl 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)OCC

InChI

InChI=1S/C14H18N4O2S/c1-4-18-8-11(10(3)17-18)12-6-7-15-14(16-12)21-9-13(19)20-5-2/h6-8H,4-5,9H2,1-3H3