(4-aminocarbonylphenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: (4-aminocarbonylphenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (4-carbamoylphenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (4-carbamoylbenzyl) ester Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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