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N2-((1R,2S)-2-Aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
SpectraBase Compound ID 3xVljSpCunf
InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKey UTBSBSOBZHXMHI-LSDHHAIUSA-N
Mol Weight 385.9 g/mol
Molecular Formula C19H24ClN7
Exact Mass 385.178172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZKFuxJVMeG
Name N2-((1R,2S)-2-Aminocyclohexyl)-N6-(3-chlorophenyl)-9-ethyl-9H-purine-2,6-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.178171501 u
Formula C19H24ClN7
InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15+/m0/s1
InChIKey UTBSBSOBZHXMHI-LSDHHAIUSA-N
Molecular Weight 385.903 g/mol
SMILES C1=NC2=C(N1CC)N=C(N=C2NC1=CC(=CC=C1)Cl)N[C@]1([C@](CCCC1)(N)[H])[H]