SpectraBase Compound ID | 3xVljSpCunf |
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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 |
SpectraBase Spectrum ID | BZKFuxJVMeG |
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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] |