2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Openeye Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid CAS Name: 2-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]-3-quinolinecarboxylic acid IUPAC Name: 2-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]quinoline-3-carboxylic acid Traditional Name: 2-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]quinoline-3-carboxylic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC=CC(=O)N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC=CC(=O)N3)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c19-13-5-6-16-15(18-13)22-8-12-10(14(20)21)7-9-3-1-2-4-11(9)17-12/h1-7H,8H2,(H,20,21)(H,16,18,19)