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5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(4-pyridinylcarbonyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
SpectraBase Compound ID GjVhsH4fi7V
InChI InChI=1S/C29H28N4O7/c1-3-38-28(35)25-22(31-29(36)32-26(25)19-5-7-21(37-2)8-6-19)16-33(27(34)20-10-12-30-13-11-20)15-18-4-9-23-24(14-18)40-17-39-23/h4-14,26H,3,15-17H2,1-2H3,(H2,31,32,36)
InChIKey NUGNSVBDYRNRNO-UHFFFAOYSA-N
Mol Weight 544.56 g/mol
Molecular Formula C29H28N4O7
Exact Mass 544.195799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iW0iJ498Q
Name 5-Pyrimidinecarboxylic acid, 4-[[(1,3-benzodioxol-5-ylmethyl)(4-pyridinylcarbonyl)amino]methyl]-1,2,3,6-tetrahydro-6-(4-methoxyphenyl)-2-oxo-, ethyl ester
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Formula C29H28N4O7
InChI InChI=1S/C29H28N4O7/c1-3-38-28(35)25-22(31-29(36)32-26(25)19-5-7-21(37-2)8-6-19)16-33(27(34)20-10-12-30-13-11-20)15-18-4-9-23-24(14-18)40-17-39-23/h4-14,26H,3,15-17H2,1-2H3,(H2,31,32,36)
InChIKey NUGNSVBDYRNRNO-UHFFFAOYSA-N
Molecular Weight 544.564 g/mol
SMILES N1C(C(=C(NC1=O)CN(Cc1cc2c(cc1)OCO2)C(=O)c1ccncc1)C(OCC)=O)c1ccc(cc1)OC
SPLASH splash10-052r-6930100000-e675d9169b38d6c34f0c
Source of Spectrum IY-2-5040-2
Synonyms Ethyl 6-{[N-(2H-1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylformamido]methyl}-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 6-[[1,3-benzodioxol-5-ylmethyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-[[1,3-benzodioxol-5-ylmethyl(pyridine-4-carbonyl)amino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[[1,3-benzodioxol-5-ylmethyl(pyridin-4-ylcarbonyl)amino]methyl]-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1658385