(4S)-6-[(diethylazaniumyl)methyl]-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (4S)-6-[(diethylazaniumyl)methyl]-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (4S)-6-[(diethylammonio)methyl]-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(diethylammonio)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate IUPAC Name: (4S)-6-[(diethylazaniumyl)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(diethylammonio)methyl]-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)C)C(=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-4-20(5-2)10-13-14(16(21)22)15(19-17(23)18-13)12-8-6-11(3)7-9-12/h6-9,15H,4-5,10H2,1-3H3,(H,21,22)(H2,18,19,23)/t15-/m0/s1