2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4,6-bis(1-piperidyl)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4,6-bis(1-piperidinyl)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(4,6-dipiperidinopyrimidin-2-yl)thio]acetic acid Formula: C16H24N4O2S MolecularWeight: 336.45236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)O)N3CCCCC3

InChI

InChI=1S/C16H24N4O2S/c21-15(22)12-23-16-17-13(19-7-3-1-4-8-19)11-14(18-16)20-9-5-2-6-10-20/h11H,1-10,12H2,(H,21,22)