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N-{(E)-(3,4-dimethylanilino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}benzenesulfonamide
SpectraBase Compound ID EY2NEgYCaW4
InChI InChI=1S/C21H23N5O2S/c1-14-10-11-18(12-15(14)2)24-21(25-20-22-16(3)13-17(4)23-20)26-29(27,28)19-8-6-5-7-9-19/h5-13H,1-4H3,(H2,22,23,24,25,26)
InChIKey ZCVAIBYBDHNGRU-UHFFFAOYSA-N
Mol Weight 409.51 g/mol
Molecular Formula C21H23N5O2S
Exact Mass 409.157246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5V0uNr7J7o
Name N-{(E)-(3,4-Dimethylanilino)[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene}benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.157246173 u
Formula C21H23N5O2S
InChI InChI=1S/C21H23N5O2S/c1-14-10-11-18(12-15(14)2)24-21(25-20-22-16(3)13-17(4)23-20)26-29(27,28)19-8-6-5-7-9-19/h5-13H,1-4H3,(H2,22,23,24,25,26)
InChIKey ZCVAIBYBDHNGRU-UHFFFAOYSA-N
Molecular Weight 409.508 g/mol
SMILES N(C=1N=C(C)C=C(N1)C)\C(=N\S(=O)(=O)C1=CC=CC=C1)NC1=CC(C)=C(C=C1)C