6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-benzyloxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 6-methyl-4-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-benzoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c1-12-16(18(23)24)17(22(20(25)26)19(28)21-12)14-8-5-9-15(10-14)27-11-13-6-3-2-4-7-13/h2-10,17H,11H2,1H3,(H,21,28)(H,23,24)(H,25,26)