2-[6-chloranyl-2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-chloranyl-2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-chloro-2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-chloro-2-[(4-chlorophenyl)methylamino]-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-chloro-2-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-chloro-2-[(4-chlorobenzyl)amino]pyrimidin-4-yl]thio]acetic acid Formula: C13H11Cl2N3O2S MolecularWeight: 344.21634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=CC(=N2)Cl)SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=CC(=N2)Cl)SCC(=O)O)Cl

InChI

InChI=1S/C13H11Cl2N3O2S/c14-9-3-1-8(2-4-9)6-16-13-17-10(15)5-11(18-13)21-7-12(19)20/h1-5H,6-7H2,(H,19,20)(H,16,17,18)