2-azanyl-3-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[4-(4-chlorophenyl)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[4-(4-chlorophenyl)pyrimidin-2-yl]thio]propionic acid Formula: C13H12ClN3O2S MolecularWeight: 309.77128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)SCC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)SCC(C(=O)O)N)Cl

InChI

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