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

Systemtic Name: ethyl 4-methyl-6-(2-methylsulfonyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(2-methylsulfonyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(2-methylsulfonyl-5-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(2-methylsulfonyl-5-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(2-mesyl-5-nitro-phenyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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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-])S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S/c1-4-30-21(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)31(3,28)29/h5-12H,4H2,1-3H3