2-[4-chloranyl-6-[(4-chlorophenyl)methylamino]-5-methyl-pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(4-chlorophenyl)methylamino]-5-methyl-pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-[(4-chlorophenyl)methylamino]-5-methyl-pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-[(4-chlorophenyl)methylamino]-5-methyl-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-[(4-chlorophenyl)methylamino]-5-methylpyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-chloro-6-[(4-chlorobenzyl)amino]-5-methyl-pyrimidin-2-yl]thio]acetic acid Formula: C14H13Cl2N3O2S MolecularWeight: 358.24292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1Cl)SCC(=O)O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(N=C(N=C1Cl)SCC(=O)O)NCC2=CC=C(C=C2)Cl

InChI

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