1-pyrimidin-2-ylsulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-pyrimidin-2-ylsulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-pyrimidin-2-ylsulfanylisoquinoline-3-carboxylic acid CAS Name: 1-(2-pyrimidinylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-pyrimidin-2-ylsulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-(2-pyrimidylthio)isoquinoline-3-carboxylic acid Formula: C14H9N3O2S MolecularWeight: 283.30516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SC3=NC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=NC=CC=N3)C(=O)O

InChI

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