(6-ethoxy-6-oxidanylidene-hexyl) 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl) 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (6-ethoxy-6-oxo-hexyl) 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (6-ethoxy-6-oxohexyl) ester IUPAC Name: (6-ethoxy-6-oxohexyl) 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (6-ethoxy-6-keto-hexyl) ester Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC(=O)C1=C(NC(=S)NC1)C

Isomeric SMILES

CCOC(=O)CCCCCOC(=O)C1=C(NC(=S)NC1)C

InChI

InChI=1S/C14H22N2O4S/c1-3-19-12(17)7-5-4-6-8-20-13(18)11-9-15-14(21)16-10(11)2/h3-9H2,1-2H3,(H2,15,16,21)