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

Systemtic Name: 4-oxidanylidene-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-oxo-3-(4-phenoxyphenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-oxo-3-(4-phenoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-keto-3-(4-phenoxyphenyl)-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C(=CNC3=S)C(=O)O

InChI

InChI=1S/C17H12N2O4S/c20-15-14(16(21)22)10-18-17(24)19(15)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H,18,24)(H,21,22)