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Methyl 4-(2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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Methyl 4-(2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID EMlU9B0aZ1Q
InChI InChI=1S/C24H25N3O6S/c1-4-32-22(29)15-9-11-16(12-10-15)26-19(28)13-33-18-8-6-5-7-17(18)21-20(23(30)31-3)14(2)25-24(34)27-21/h5-12,21H,4,13H2,1-3H3,(H,26,28)(H2,25,27,34)
InChIKey KKSSCHPQDCRYFU-UHFFFAOYSA-N
Mol Weight 483.54 g/mol
Molecular Formula C24H25N3O6S
Exact Mass 483.146407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GW0cAMzSXJf
Name Methyl 4-(2-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethoxy}phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.146406705 u
Formula C24H25N3O6S
InChI InChI=1S/C24H25N3O6S/c1-4-32-22(29)15-9-11-16(12-10-15)26-19(28)13-33-18-8-6-5-7-17(18)21-20(23(30)31-3)14(2)25-24(34)27-21/h5-12,21H,4,13H2,1-3H3,(H,26,28)(H2,25,27,34)
InChIKey KKSSCHPQDCRYFU-UHFFFAOYSA-N
Molecular Weight 483.539 g/mol
SMILES N(C(COC=1C(C2C(=C(NC(=S)N2)C)C(=O)OC)=CC=CC1)=O)C=1C=CC(C(=O)OCC)=CC1