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

Systemtic Name: 3-(4-butylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-butylphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(4-butylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-butylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-butylphenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=CNC2=S)C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-2-3-4-10-5-7-11(8-6-10)17-13(18)12(14(19)20)9-16-15(17)21/h5-9H,2-4H2,1H3,(H,16,21)(H,19,20)