2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-4-17-9(3)12(8(2)16-17)10-5-6-14-13(15-10)20-7-11(18)19/h5-6H,4,7H2,1-3H3,(H,18,19)