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

Systemtic Name: 2-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-ethyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N4O2S/c1-2-15-6-8(5-13-15)9-3-4-12-11(14-9)18-7-10(16)17/h3-6H,2,7H2,1H3,(H,16,17)