1-methyl-7-pyrimidin-4-ylsulfanyl-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-pyrimidin-4-ylsulfanyl-indole-2-carboxylic acid Openeye Name: 1-methyl-7-pyrimidin-4-ylsulfanyl-indole-2-carboxylic acid CAS Name: 1-methyl-7-(4-pyrimidinylthio)-2-indolecarboxylic acid IUPAC Name: 1-methyl-7-pyrimidin-4-ylsulfanylindole-2-carboxylic acid Traditional Name: 1-methyl-7-(4-pyrimidylthio)indole-2-carboxylic acid Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)SC3=NC=NC=C3)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)SC3=NC=NC=C3)C(=O)O

InChI

InChI=1S/C14H11N3O2S/c1-17-10(14(18)19)7-9-3-2-4-11(13(9)17)20-12-5-6-15-8-16-12/h2-8H,1H3,(H,18,19)