2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(4-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-(4-nitrophenyl)-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H19N3O7S/c1-12-17(19(25)26)18(14-5-7-15(8-6-14)24(29)30)23(21(27)28)20(22-12)32-11-13-3-9-16(31-2)10-4-13/h3-10,18H,11H2,1-2H3,(H,25,26)(H,27,28)