ethyl 6-methyl-4-pentyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-pentyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-pentyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-pentyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-pentyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-amyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H22N2O2S MolecularWeight: 270.39098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(NC(=S)N1)C)C(=O)OCC

Isomeric SMILES

CCCCCC1C(=C(NC(=S)N1)C)C(=O)OCC

InChI

InChI=1S/C13H22N2O2S/c1-4-6-7-8-10-11(12(16)17-5-2)9(3)14-13(18)15-10/h10H,4-8H2,1-3H3,(H2,14,15,18)