methyl 2-(2-octoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(2-octoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 2-(2-octoxy-2-oxo-ethyl)sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-[(2-octoxy-2-oxoethyl)thio]-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-octoxy-2-oxoethyl)sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-octoxy-ethyl)thio]-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C16H24N2O5S MolecularWeight: 356.43716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=NC(=O)C=C(N1)C(=O)OC

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=NC(=O)C=C(N1)C(=O)OC

InChI

InChI=1S/C16H24N2O5S/c1-3-4-5-6-7-8-9-23-14(20)11-24-16-17-12(15(21)22-2)10-13(19)18-16/h10H,3-9,11H2,1-2H3,(H,17,18,19)