2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxo-2-phenylethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]-2-phenyl-acetyl]amino]phenyl]cinchoninic acid Formula: C30H24N4O3S MolecularWeight: 520.60156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C

InChI

InChI=1S/C30H24N4O3S/c1-18-16-19(2)32-30(31-18)38-27(21-8-4-3-5-9-21)28(35)33-22-14-12-20(13-15-22)26-17-24(29(36)37)23-10-6-7-11-25(23)34-26/h3-17,27H,1-2H3,(H,33,35)(H,36,37)