3-[4-chloranyl-6-[(4-chlorophenyl)methylamino]pyrimidin-2-yl]-2-sulfanylidene-propanoic acid

Systemtic Name: 3-[4-chloranyl-6-[(4-chlorophenyl)methylamino]pyrimidin-2-yl]-2-sulfanylidene-propanoic acid Openeye Name: 3-[4-chloro-6-[(4-chlorophenyl)methylamino]pyrimidin-2-yl]-2-thioxo-propanoic acid CAS Name: 3-[4-chloro-6-[(4-chlorophenyl)methylamino]-2-pyrimidinyl]-2-sulfanylidenepropanoic acid IUPAC Name: 3-[4-chloro-6-[(4-chlorophenyl)methylamino]pyrimidin-2-yl]-2-sulfanylidenepropanoic acid Traditional Name: 3-[4-chloro-6-[(4-chlorobenzyl)amino]pyrimidin-2-yl]-2-thioxo-propionic acid Formula: C14H11Cl2N3O2S MolecularWeight: 356.22704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC(=NC(=N2)CC(=S)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC(=NC(=N2)CC(=S)C(=O)O)Cl)Cl

InChI

InChI=1S/C14H11Cl2N3O2S/c15-9-3-1-8(2-4-9)7-17-12-6-11(16)18-13(19-12)5-10(22)14(20)21/h1-4,6H,5,7H2,(H,20,21)(H,17,18,19)