2-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)SCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)SCC(=O)O

InChI

InChI=1S/C10H10N4O2S/c1-14-5-7(4-12-14)8-2-3-11-10(13-8)17-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)