3-[[5-bromanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-bromanyl-2-[(4-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-bromo-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-bromo-2-[(4-chlorophenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-bromo-2-[(4-chlorophenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-bromo-2-[(4-chlorobenzyl)thio]pyrimidine-4-carbonyl]amino]benzoic acid Formula: C19H13BrClN3O3S MolecularWeight: 478.74682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H13BrClN3O3S/c20-15-9-22-19(28-10-11-4-6-13(21)7-5-11)24-16(15)17(25)23-14-3-1-2-12(8-14)18(26)27/h1-9H,10H2,(H,23,25)(H,26,27)