2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-chloranyl-pyrimidine-4-carboxylic acid Openeye Name: 2-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-5-chloro-pyrimidine-4-carboxylic acid CAS Name: 2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]thio]-5-chloro-4-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(4-bromo-2-methylanilino)-2-oxoethyl]sulfanyl-5-chloropyrimidine-4-carboxylic acid Traditional Name: 2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thio]-5-chloro-pyrimidine-4-carboxylic acid Formula: C14H11BrClN3O3S MolecularWeight: 416.67744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C14H11BrClN3O3S/c1-7-4-8(15)2-3-10(7)18-11(20)6-23-14-17-5-9(16)12(19-14)13(21)22/h2-5H,6H2,1H3,(H,18,20)(H,21,22)