ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-pyridin-3-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-pyridin-3-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-(3-pyridyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(methylthio)-5-nitrophenyl]-2-(3-pyridinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-(2-methylsulfanyl-5-nitrophenyl)-2-pyridin-3-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[2-(methylthio)-5-nitro-phenyl]-2-(3-pyridyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O4S/c1-4-28-20(25)17-12(2)22-19(13-6-5-9-21-11-13)23-18(17)15-10-14(24(26)27)7-8-16(15)29-3/h5-11H,4H2,1-3H3