2-[4-chloranyl-6-[1-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[1-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[1-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[1-(4-chlorophenyl)ethylamino]-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[1-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[1-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]thio]acetic acid Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NC2=CC(=NC(=N2)SCC(=O)O)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)NC2=CC(=NC(=N2)SCC(=O)O)Cl

InChI

InChI=1S/C14H13Cl2N3O2S/c1-8(9-2-4-10(15)5-3-9)17-12-6-11(16)18-14(19-12)22-7-13(20)21/h2-6,8H,7H2,1H3,(H,20,21)(H,17,18,19)