4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzoate Formula: C17H17ClN3O2S- MolecularWeight: 362.85378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O2S/c18-14-10-15(21-8-2-1-3-9-21)20-17(19-14)24-11-12-4-6-13(7-5-12)16(22)23/h4-7,10H,1-3,8-9,11H2,(H,22,23)/p-1