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6-[(3,5-dimethyl-1-piperidinyl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
SpectraBase Compound ID IRUCIMiaAUv
InChI InChI=1S/C21H28N4O5/c1-4-30-20(26)18-17(12-24-10-13(2)8-14(3)11-24)22-21(27)23-19(18)15-6-5-7-16(9-15)25(28)29/h5-7,9,13-14,19H,4,8,10-12H2,1-3H3,(H2,22,23,27)
InChIKey LJLIJZXNGHHLPB-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C21H28N4O5
Exact Mass 416.20597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hqMXGJeBWI
Name 6-[(3,5-dimethyl-1-piperidinyl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
Alternate Name(s) 6-[(3,5-dimethylpiperidino)methyl]-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-[(3,5-dimethyl-1-piperidyl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[(3,5-dimethylpiperidin-1-yl)methyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[(3,5-dimethylpiperidin-1-yl)methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
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Formula C21H28N4O5
InChI InChI=1S/C21H28N4O5/c1-4-30-20(26)18-17(12-24-10-13(2)8-14(3)11-24)22-21(27)23-19(18)15-6-5-7-16(9-15)25(28)29/h5-7,9,13-14,19H,4,8,10-12H2,1-3H3,(H2,22,23,27)
InChIKey LJLIJZXNGHHLPB-UHFFFAOYSA-N
Molecular Weight 416.478 g/mol
SMILES N1C(NC(C(=C1CN1CC(C)CC(C1)C)C(=O)OCC)c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-03dl-9810000000-8cb69293f86e5267e614
Wiley ID 1512496