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

Systemtic Name: (2-nitrophenyl)methyl 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid (2-nitrobenzyl) ester Formula: C13H10ClN3O4S MolecularWeight: 339.7542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O4S/c1-22-13-15-6-9(14)11(16-13)12(18)21-7-8-4-2-3-5-10(8)17(19)20/h2-6H,7H2,1H3