ethyl 2-methylsulfanyl-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-(4-nitroanilino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(4-nitroanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-(4-nitroanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-nitroanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C14H14N4O4S/c1-3-22-13(19)11-8-15-14(23-2)17-12(11)16-9-4-6-10(7-5-9)18(20)21/h4-8H,3H2,1-2H3,(H,15,16,17)