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

Systemtic Name: 2-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-pyrimidine-4-carboxylic acid Openeye Name: 2-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanyl-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 2-[[2-(3-bromoanilino)-2-oxoethyl]thio]-5-chloro-4-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(3-bromoanilino)-2-oxoethyl]sulfanyl-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-[[2-(3-bromoanilino)-2-keto-ethyl]thio]-5-chloro-pyrimidine-4-carboxylic acid Formula: C13H9BrClN3O3S MolecularWeight: 402.65086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrClN3O3S/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)