[4-(phenylcarbamoyl)phenyl]methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [4-(phenylcarbamoyl)benzyl] ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-28-20-22-11-16(21)17(24-20)19(26)27-12-13-7-9-14(10-8-13)18(25)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,25)