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

Systemtic Name: 4-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 4-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylthio]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-methoxyphenyl)-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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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(=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C22H22N2O6S/c1-13-18(20(25)26)19(15-5-4-6-17(11-15)30-3)24(22(27)28)21(23-13)31-12-14-7-9-16(29-2)10-8-14/h4-11,19H,12H2,1-3H3,(H,25,26)(H,27,28)