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2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-(4-methylpiperazin-1-yl)-1H-purin-6(9H)-one

View entire compound with spectra: 2 NMR

2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-(4-methylpiperazin-1-yl)-1H-purin-6(9H)-one
SpectraBase Compound ID 30HXUI5mnQZ
InChI InChI=1S/C15H23N7O5/c1-20-2-4-21(5-3-20)15-17-8-11(18-14(16)19-12(8)26)22(15)13-10(25)9(24)7(6-23)27-13/h7,9-10,13,23-25H,2-6H2,1H3,(H3,16,18,19,26)/t7-,9-,10-,13-/m1/s1
InChIKey HDCQGHNJHFUBMS-QYVSTXNMSA-N
Mol Weight 381.39 g/mol
Molecular Formula C15H23N7O5
Exact Mass 381.176067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzIOwYYtpXS
Name 2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-8-(4-methylpiperazin-1-yl)-1H-purin-6(9H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.176066864 u
Formula C15H23N7O5
InChI InChI=1S/C15H23N7O5/c1-20-2-4-21(5-3-20)15-17-8-11(18-14(16)19-12(8)26)22(15)13-10(25)9(24)7(6-23)27-13/h7,9-10,13,23-25H,2-6H2,1H3,(H3,16,18,19,26)/t7-,9-,10-,13-/m1/s1
InChIKey HDCQGHNJHFUBMS-QYVSTXNMSA-N
Molecular Weight 381.393 g/mol
SMILES N1C(C2=C(N([C@]3([C@@]([C@@]([C@](O3)(CO)[H])(O)[H])(O)[H])[H])C(=N2)N2CCN(CC2)C)N=C1N)=O