2-[4-chloranyl-6-[(3,4-dichlorophenyl)methylamino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(3,4-dichlorophenyl)methylamino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[(3,4-dichlorophenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[(3,4-dichlorophenyl)methylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[(3,4-dichlorophenyl)methylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[(3,4-dichlorobenzyl)amino]pyrimidin-2-yl]thio]acetic acid Formula: C13H10Cl3N3O2S MolecularWeight: 378.6614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl3N3O2S/c14-8-2-1-7(3-9(8)15)5-17-11-4-10(16)18-13(19-11)22-6-12(20)21/h1-4H,5-6H2,(H,20,21)(H,17,18,19)