2-pyrimidin-2-ylsulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-pyrimidin-2-ylsulfanylquinoline-4-carboxylic acid Openeye Name: 2-pyrimidin-2-ylsulfanylquinoline-4-carboxylic acid CAS Name: 2-(2-pyrimidinylthio)-4-quinolinecarboxylic acid IUPAC Name: 2-pyrimidin-2-ylsulfanylquinoline-4-carboxylic acid Traditional Name: 2-(2-pyrimidylthio)cinchoninic acid Formula: C14H9N3O2S MolecularWeight: 283.30516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=NC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C14H9N3O2S/c18-13(19)10-8-12(20-14-15-6-3-7-16-14)17-11-5-2-1-4-9(10)11/h1-8H,(H,18,19)