2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]acetic acid Formula: C11H14ClN3O2S MolecularWeight: 287.76576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C11H14ClN3O2S/c12-8-6-9(15-4-2-1-3-5-15)14-11(13-8)18-7-10(16)17/h6H,1-5,7H2,(H,16,17)