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

Systemtic Name: methyl 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)OC)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O4S/c1-12-17(20(24)27-2)18(22-19(21-12)13-7-5-4-6-8-13)15-11-14(23(25)26)9-10-16(15)28-3/h4-11H,1-3H3