butyl 4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CNC(=S)NC1=O

Isomeric SMILES

CCCCOC(=O)C1=CNC(=S)NC1=O

InChI

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