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

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-phenylmethoxyphenyl)-4H-pyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-benzyloxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4H-pyrimidine-3,5-dicarboxylic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-6-methyl-4-(3-phenylmethoxyphenyl)-4H-pyrimidine-3,5-dicarboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-4-(3-phenylmethoxyphenyl)-4H-pyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-benzoxyphenyl)-6-methyl-2-(p-anisylthio)-4H-pyrimidine-3,5-dicarboxylic acid Formula: C28H26N2O6S MolecularWeight: 518.58084

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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)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=N1)SCC2=CC=C(C=C2)OC)C(=O)O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26N2O6S/c1-18-24(26(31)32)25(21-9-6-10-23(15-21)36-16-19-7-4-3-5-8-19)30(28(33)34)27(29-18)37-17-20-11-13-22(35-2)14-12-20/h3-15,25H,16-17H2,1-2H3,(H,31,32)(H,33,34)