5-chloranyl-2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(3-chloroanilino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(3-chloroanilino)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C13H9Cl2N3O3S MolecularWeight: 358.19986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H9Cl2N3O3S/c14-7-2-1-3-8(4-7)17-10(19)6-22-13-16-5-9(15)11(18-13)12(20)21/h1-5H,6H2,(H,17,19)(H,20,21)