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7-[(2E)-3-chloro-2-butenyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2zaJrcdWIW
InChI InChI=1S/C17H24ClN5O2/c1-11(18)9-10-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)19-12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,19,20)/b11-9+
InChIKey UKTQUJYTMUHQNO-PKNBQFBNSA-N
Mol Weight 365.87 g/mol
Molecular Formula C17H24ClN5O2
Exact Mass 365.161853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9QEUlloPNQ4
Name 7-[(2E)-3-chloro-2-butenyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H24ClN5O2/c1-11(18)9-10-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)19-12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,19,20)/b11-9+
InChIKey UKTQUJYTMUHQNO-PKNBQFBNSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25049
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D49461; Labnumber: UZROM-3786; SBI_ID: SBI-025053
Synonyms 7-[3-chloro-2-butenyl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 308 °C