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

Systemtic Name: ethyl 4-butyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-butyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-butyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-butyl-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-butyl-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=C(NC(=S)N1)C)C(=O)OCC

Isomeric SMILES

CCCCC1C(=C(NC(=S)N1)C)C(=O)OCC

InChI

InChI=1S/C12H20N2O2S/c1-4-6-7-9-10(11(15)16-5-2)8(3)13-12(17)14-9/h9H,4-7H2,1-3H3,(H2,13,14,17)