ethyl 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1,3,5-trimethyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1,3,5-trimethylpyrazol-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:

CCOC(=O)CSC1=NC=CC(=N1)C2=C(N(N=C2C)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)C2=C(N(N=C2C)C)C

InChI

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