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

Systemtic Name: 2-[4-chloranyl-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[2-(4-chlorophenyl)ethylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]thio]acetic acid Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=CC(=NC(=N2)SCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC2=CC(=NC(=N2)SCC(=O)O)Cl)Cl

InChI

InChI=1S/C14H13Cl2N3O2S/c15-10-3-1-9(2-4-10)5-6-17-12-7-11(16)18-14(19-12)22-8-13(20)21/h1-4,7H,5-6,8H2,(H,20,21)(H,17,18,19)