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

Systemtic Name: ethyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[methyl-[4-(methylthio)benzyl]amino]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H23N3O3S/c1-4-23-16(21)14-9-18-17(22)19-15(14)11-20(2)10-12-5-7-13(24-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H2,18,19,22)