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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC=C2)SCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC=C2)SCC(=O)O)Cl

InChI

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