5-chloranyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=C(C(=N3)C(=O)O)Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=C(C(=N3)C(=O)O)Cl

InChI

InChI=1S/C16H14ClN3O3S/c17-11-8-18-16(19-14(11)15(22)23)24-9-13(21)20-7-3-5-10-4-1-2-6-12(10)20/h1-2,4,6,8H,3,5,7,9H2,(H,22,23)