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1-ethyl-5-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-1H-pyrazole-4-carboxamide
SpectraBase Compound ID I0FN5fgSWHU
InChI InChI=1S/C17H18N6O3S/c1-3-23-12(2)15(11-20-23)16(24)21-13-5-7-14(8-6-13)27(25,26)22-17-18-9-4-10-19-17/h4-11H,3H2,1-2H3,(H,21,24)(H,18,19,22)
InChIKey KSQIOJVQCFQVCC-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C17H18N6O3S
Exact Mass 386.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F15NMkJYRFm
Name 1-Ethyl-5-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 386.116109635 u
Formula C17H18N6O3S
InChI InChI=1S/C17H18N6O3S/c1-3-23-12(2)15(11-20-23)16(24)21-13-5-7-14(8-6-13)27(25,26)22-17-18-9-4-10-19-17/h4-11H,3H2,1-2H3,(H,21,24)(H,18,19,22)
InChIKey KSQIOJVQCFQVCC-UHFFFAOYSA-N
Molecular Weight 386.430 g/mol
SMILES N(C=1C=CC(S(NC2=NC=CC=N2)(=O)=O)=CC1)C(C1=C(N(CC)N=C1)C)=O