ethyl 4-ethyl-6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-ethyl-6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-ethyl-2-keto-6-[[methyl-[4-(methylthio)benzyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC=C(C=C2)SC)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN(C)CC2=CC=C(C=C2)SC)C(=O)OCC

InChI

InChI=1S/C19H27N3O3S/c1-5-15-17(18(23)25-6-2)16(21-19(24)20-15)12-22(3)11-13-7-9-14(26-4)10-8-13/h7-10,15H,5-6,11-12H2,1-4H3,(H2,20,21,24)