8-(4-ethoxypyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid

Systemtic Name: 8-(4-ethoxypyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid Openeye Name: 8-(4-ethoxypyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid CAS Name: 8-[(4-ethoxy-2-pyrimidinyl)thio]-5-quinolinecarboxylic acid IUPAC Name: 8-(4-ethoxypyrimidin-2-yl)sulfanylquinoline-5-carboxylic acid Traditional Name: 8-[(4-ethoxypyrimidin-2-yl)thio]quinoline-5-carboxylic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1)SC2=C3C(=C(C=C2)C(=O)O)C=CC=N3

Isomeric SMILES

CCOC1=NC(=NC=C1)SC2=C3C(=C(C=C2)C(=O)O)C=CC=N3

InChI

InChI=1S/C16H13N3O3S/c1-2-22-13-7-9-18-16(19-13)23-12-6-5-11(15(20)21)10-4-3-8-17-14(10)12/h3-9H,2H2,1H3,(H,20,21)