2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-(1,3,5-trimethyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-(1,3,5-trimethylpyrazol-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:

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)SCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)SCC(=O)O

InChI

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