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3-({(E)-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methylidene}amino)-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

View entire compound with spectra: 1 NMR

3-({(E)-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methylidene}amino)-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID A48irJ251UA
InChI InChI=1S/C21H22N4O2/c1-21(2)13-5-4-12(16(21)8-13)10-23-25-11-22-18-15-9-14(27-3)6-7-17(15)24-19(18)20(25)26/h4,6-7,9-11,13,16,24H,5,8H2,1-3H3/b23-10+
InChIKey MLYZHOYOIOMFRJ-AUEPDCJTSA-N
Mol Weight 362.43 g/mol
Molecular Formula C21H22N4O2
Exact Mass 362.174276 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ck92J6DVAyL
Name 3-({(E)-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methylidene}amino)-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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/C21H22N4O2/c1-21(2)13-5-4-12(16(21)8-13)10-23-25-11-22-18-15-9-14(27-3)6-7-17(15)24-19(18)20(25)26/h4,6-7,9-11,13,16,24H,5,8H2,1-3H3/b23-10+
InChIKey MLYZHOYOIOMFRJ-AUEPDCJTSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13437
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: 102016; Labnumber: PRBS13-40067; VK_ID: VK-013442
Synonyms 3-({[6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methylidene}amino)-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 308 °C