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ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-ethoxyanilino)-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-ethoxyanilino)-5-pyrimidinecarboxylate
SpectraBase Compound ID TMqBP78pUn
InChI InChI=1S/C20H23N5O3/c1-5-27-16-9-7-15(8-10-16)22-18-17(19(26)28-6-2)12-21-20(23-18)25-14(4)11-13(3)24-25/h7-12H,5-6H2,1-4H3,(H,21,22,23)
InChIKey OKFNIEQSAOMKGS-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C20H23N5O3
Exact Mass 381.18009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Xat58UDkna
Name Ethyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(4-ethoxyanilino)-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 381.180089618 u
Formula C20H23N5O3
InChI InChI=1S/C20H23N5O3/c1-5-27-16-9-7-15(8-10-16)22-18-17(19(26)28-6-2)12-21-20(23-18)25-14(4)11-13(3)24-25/h7-12H,5-6H2,1-4H3,(H,21,22,23)
InChIKey OKFNIEQSAOMKGS-UHFFFAOYSA-N
Molecular Weight 381.436 g/mol
SMILES N(C=1N=C(N2N=C(C)C=C2C)N=CC1C(=O)OCC)C=1C=CC(=CC1)OCC