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7-[(2E)-3-chloro-2-butenyl]-8-[(2-furylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5atXRou9OVs
InChI InChI=1S/C16H18ClN5O3/c1-10(17)6-7-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)18-9-11-5-4-8-25-11/h4-6,8H,7,9H2,1-3H3,(H,18,19)/b10-6+
InChIKey VYMUQVYLUJGOGK-UXBLZVDNSA-N
Mol Weight 363.81 g/mol
Molecular Formula C16H18ClN5O3
Exact Mass 363.109817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ARP2yynpctV
Name 7-[(2E)-3-chloro-2-butenyl]-8-[(2-furylmethyl)amino]-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/C16H18ClN5O3/c1-10(17)6-7-22-12-13(20(2)16(24)21(3)14(12)23)19-15(22)18-9-11-5-4-8-25-11/h4-6,8H,7,9H2,1-3H3,(H,18,19)/b10-6+
InChIKey VYMUQVYLUJGOGK-UXBLZVDNSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25051
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: D49464; Labnumber: UZROM-3789; SBI_ID: SBI-025055
Synonyms 7-[3-chloro-2-butenyl]-8-[(2-furylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature 308 °C