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

Systemtic Name: 5-chloranyl-2-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]thio]pyrimidine-4-carboxylic acid Formula: C14H11ClFN3O3S MolecularWeight: 355.771843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl)F

InChI

InChI=1S/C14H11ClFN3O3S/c1-7-2-3-8(4-10(7)16)18-11(20)6-23-14-17-5-9(15)12(19-14)13(21)22/h2-5H,6H2,1H3,(H,18,20)(H,21,22)