2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-ethyl-5-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-ethyl-5-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O2S/c1-3-16-8(2)9(6-14-16)10-4-5-13-12(15-10)19-7-11(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)