butyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: butyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: butyl 2-(2-methoxy-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-1H-pyrimidine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-methoxy-ethyl)thio]-1H-pyrimidine-6-carboxylic acid butyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)N=C(N1)SCC(=O)OC

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)N=C(N1)SCC(=O)OC

InChI

InChI=1S/C12H16N2O5S/c1-3-4-5-19-11(17)8-6-9(15)14-12(13-8)20-7-10(16)18-2/h6H,3-5,7H2,1-2H3,(H,13,14,15)