3-butyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-butyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-butyl-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-butyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-butyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-butyl-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC1=S)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C(=CNC1=S)C(=O)O

InChI

InChI=1S/C9H12N2O3S/c1-2-3-4-11-7(12)6(8(13)14)5-10-9(11)15/h5H,2-4H2,1H3,(H,10,15)(H,13,14)