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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanyl-3-pyridyl)-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-[2-(methylthio)-3-pyridinyl]-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-methylsulfanylpyridin-3-yl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 6-methyl-4-[2-(methylthio)-3-pyridyl]-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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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=C(N=CC=C3)SC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S2/c1-12-16(19(25)26)17(15-5-4-10-22-18(15)30-3)24(21(27)28)20(23-12)31-11-13-6-8-14(29-2)9-7-13/h4-10,17H,11H2,1-3H3,(H,25,26)(H,27,28)