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butanamide, 4-[(2-chloro-9H-purin-6-yl)amino]-N-[3-(dimethylamino)propyl]-

View entire compound with spectra: 2 NMR

butanamide, 4-[(2-chloro-9H-purin-6-yl)amino]-N-[3-(dimethylamino)propyl]-
SpectraBase Compound ID 6Hrb8ypZx0c
InChI InChI=1S/C14H22ClN7O/c1-22(2)8-4-7-16-10(23)5-3-6-17-12-11-13(19-9-18-11)21-14(15)20-12/h9H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,20,21)
InChIKey ACVSSTAJIWVVDH-UHFFFAOYSA-N
Mol Weight 339.83 g/mol
Molecular Formula C14H22ClN7O
Exact Mass 339.157436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 696VdsjCKT7
Name Butanamide, 4-[(2-chloro-9H-purin-6-yl)amino]-N-[3-(dimethylamino)propyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 339.157436055 u
Formula C14H22ClN7O
InChI InChI=1S/C14H22ClN7O/c1-22(2)8-4-7-16-10(23)5-3-6-17-12-11-13(19-9-18-11)21-14(15)20-12/h9H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,20,21)
InChIKey ACVSSTAJIWVVDH-UHFFFAOYSA-N
SMILES N(C(CCCNC=1N=C(N=C2C1N=CN2)Cl)=O)CCCN(C)C