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

Systemtic Name: 5-chloranyl-2-[2-[methyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(N-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-(N-methylanilino)-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-keto-2-(N-methylanilino)ethyl]thio]pyrimidine-4-carboxylate Formula: C14H11ClN3O3S- MolecularWeight: 336.77344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C14H12ClN3O3S/c1-18(9-5-3-2-4-6-9)11(19)8-22-14-16-7-10(15)12(17-14)13(20)21/h2-7H,8H2,1H3,(H,20,21)/p-1