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

View entire compound with spectra: 1 NMR

4-Chloro-4'-[2,4-diamino-6-ethyl-5-pyrimidyl]diphenyl sulfide
SpectraBase Compound ID 2veJjntq0nG
InChI InChI=1S/C18H17ClN4S/c1-2-15-16(17(20)23-18(21)22-15)11-3-7-13(8-4-11)24-14-9-5-12(19)6-10-14/h3-10H,2H2,1H3,(H4,20,21,22,23)
InChIKey GRUGGIGMIVHDDL-UHFFFAOYSA-N
Mol Weight 356.88 g/mol
Molecular Formula C18H17ClN4S
Exact Mass 356.086245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FLimKqnaUR
Name 4-Chloro-4'-[2,4-diamino-6-ethyl-5-pyrimidyl]diphenyl sulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.086245437 u
Formula C18H17ClN4S
InChI InChI=1S/C18H17ClN4S/c1-2-15-16(17(20)23-18(21)22-15)11-3-7-13(8-4-11)24-14-9-5-12(19)6-10-14/h3-10H,2H2,1H3,(H4,20,21,22,23)
InChIKey GRUGGIGMIVHDDL-UHFFFAOYSA-N
Molecular Weight 356.875 g/mol
SMILES C1(=C(C(=NC(=N1)N)N)C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)CC