ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(methylthio)-5-nitrophenyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[2-(methylthio)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])SC

InChI

InChI=1S/C21H19N3O4S/c1-4-28-21(25)18-13(2)22-20(14-8-6-5-7-9-14)23-19(18)16-12-15(24(26)27)10-11-17(16)29-3/h5-12H,4H2,1-3H3