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

Systemtic Name: 2-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[6-[(4-chlorophenyl)methylamino]-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[6-[(4-chlorobenzyl)amino]pyrimidin-4-yl]thio]acetic acid Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O2S/c14-10-3-1-9(2-4-10)6-15-11-5-12(17-8-16-11)20-7-13(18)19/h1-5,8H,6-7H2,(H,18,19)(H,15,16,17)