2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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