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4-Chloro-4'-[2,4-diamino-6-ethyl-5-pyrimidyl]diphenyl sulfone

View entire compound with spectra: 1 NMR

4-Chloro-4'-[2,4-diamino-6-ethyl-5-pyrimidyl]diphenyl sulfone
SpectraBase Compound ID Hm6SiCAp6q2
InChI InChI=1S/C18H17ClN4O2S/c1-2-15-16(17(20)23-18(21)22-15)11-3-7-13(8-4-11)26(24,25)14-9-5-12(19)6-10-14/h3-10H,2H2,1H3,(H4,20,21,22,23)
InChIKey HFNQLTLCIHPXLN-UHFFFAOYSA-N
Mol Weight 388.87 g/mol
Molecular Formula C18H17ClN4O2S
Exact Mass 388.076075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Farutl1d1ao
Name 4-Chloro-4'-[2,4-diamino-6-ethyl-5-pyrimidyl]diphenyl sulfone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.076074675 u
Formula C18H17ClN4O2S
InChI InChI=1S/C18H17ClN4O2S/c1-2-15-16(17(20)23-18(21)22-15)11-3-7-13(8-4-11)26(24,25)14-9-5-12(19)6-10-14/h3-10H,2H2,1H3,(H4,20,21,22,23)
InChIKey HFNQLTLCIHPXLN-UHFFFAOYSA-N
Molecular Weight 388.873 g/mol
SMILES C1=CC(=CC=C1S(=O)(=O)C1=CC=C(C=C1)C1=C(N=C(N=C1CC)N)N)Cl