2-[4-chloranyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]sulfanylethanoic acid Openeye Name: 2-[4-chloro-6-(2,4,6-trimethylanilino)pyrimidin-2-yl]sulfanylacetic acid CAS Name: 2-[[4-chloro-6-(2,4,6-trimethylanilino)-2-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[4-chloro-6-(2,4,6-trimethylanilino)pyrimidin-2-yl]sulfanylacetic acid Traditional Name: 2-[(4-chloro-6-mesidino-pyrimidin-2-yl)thio]acetic acid Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C

InChI

InChI=1S/C15H16ClN3O2S/c1-8-4-9(2)14(10(3)5-8)18-12-6-11(16)17-15(19-12)22-7-13(20)21/h4-6H,7H2,1-3H3,(H,20,21)(H,17,18,19)