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7-methoxy-3-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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7-methoxy-3-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID 91kTCUvcsIz
InChI InChI=1S/C25H21N5O3S/c1-32-18-7-8-19-20(12-18)29-24-23(19)27-15-30(25(24)31)28-13-16-6-9-21(33-2)17(11-16)14-34-22-5-3-4-10-26-22/h3-13,15,29H,14H2,1-2H3/b28-13+
InChIKey YUPVDUHHHLNBBG-XODNFHPESA-N
Mol Weight 471.54 g/mol
Molecular Formula C25H21N5O3S
Exact Mass 471.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GYAtaFBGrM
Name 7-methoxy-3-[((E)-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-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/C25H21N5O3S/c1-32-18-7-8-19-20(12-18)29-24-23(19)27-15-30(25(24)31)28-13-16-6-9-21(33-2)17(11-16)14-34-22-5-3-4-10-26-22/h3-13,15,29H,14H2,1-2H3/b28-13+
InChIKey YUPVDUHHHLNBBG-XODNFHPESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18189
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: D32007; Labnumber: SIMAK-01474; SBI_ID: SBI-018192
Synonyms 7-methoxy-3-[({4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}methylidene)amino]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 315 °C