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

Systemtic Name: 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-methyl-6-[2-(methylthio)-5-nitrophenyl]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-methyl-6-(2-methylsulfanyl-5-nitrophenyl)-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-methyl-6-[2-(methylthio)-5-nitro-phenyl]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S/c1-11-16(19(23)24)17(21-18(20-11)12-6-4-3-5-7-12)14-10-13(22(25)26)8-9-15(14)27-2/h3-10H,1-2H3,(H,23,24)