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

Systemtic Name: 2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid CAS Name: 2-[[2-(3-chloroanilino)-2-oxoethyl]thio]-4-(dimethoxymethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-4-(dimethoxymethyl)pyrimidine-5-carboxylic acid Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NC(=NC=C1C(=O)O)SCC(=O)NC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

COC(C1=NC(=NC=C1C(=O)O)SCC(=O)NC2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C16H16ClN3O5S/c1-24-15(25-2)13-11(14(22)23)7-18-16(20-13)26-8-12(21)19-10-5-3-4-9(17)6-10/h3-7,15H,8H2,1-2H3,(H,19,21)(H,22,23)