2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]terephthalic acid

Systemtic Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]terephthalic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]amino]terephthalic acid CAS Name: 2-[[2-[(2-chlorophenyl)methylthio]-6-methyl-4-pyrimidinyl]amino]terephthalic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]terephthalic acid Traditional Name: 2-[[2-[(2-chlorobenzyl)thio]-6-methyl-pyrimidin-4-yl]amino]terephthalic acid Formula: C20H16ClN3O4S MolecularWeight: 429.87674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2Cl)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H16ClN3O4S/c1-11-8-17(23-16-9-12(18(25)26)6-7-14(16)19(27)28)24-20(22-11)29-10-13-4-2-3-5-15(13)21/h2-9H,10H2,1H3,(H,25,26)(H,27,28)(H,22,23,24)