4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-benzyloxyphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-oxo-3-(4-phenylmethoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-benzoxyphenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)C(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-16-15(17(22)23)10-19-18(25)20(16)13-6-8-14(9-7-13)24-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,19,25)(H,22,23)