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1,3-bis{[(6-aminopyrid-2-yl)amino]carbonyl]-5-(heptyloxy)benzene
SpectraBase Compound ID C3ZxAYssGM4
InChI InChI=1S/C25H30N6O3/c1-2-3-4-5-6-13-34-19-15-17(24(32)30-22-11-7-9-20(26)28-22)14-18(16-19)25(33)31-23-12-8-10-21(27)29-23/h7-12,14-16H,2-6,13H2,1H3,(H3,26,28,30,32)(H3,27,29,31,33)
InChIKey YKNFJONMXYIYOD-UHFFFAOYSA-N
Mol Weight 462.55 g/mol
Molecular Formula C25H30N6O3
Exact Mass 462.237939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ks92MxaLZP
Name 1,3-bis{[(6-aminopyrid-2-yl)amino]carbonyl]-5-(heptyloxy)benzene
CAS Registry Number 129648-67-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N6O3
InChI InChI=1S/C25H30N6O3/c1-2-3-4-5-6-13-34-19-15-17(24(32)30-22-11-7-9-20(26)28-22)14-18(16-19)25(33)31-23-12-8-10-21(27)29-23/h7-12,14-16H,2-6,13H2,1H3,(H3,26,28,30,32)(H3,27,29,31,33)
InChIKey YKNFJONMXYIYOD-UHFFFAOYSA-N
Molecular Weight 462.554 g/mol
SMILES N(C(c1cc(C(Nc2nc(ccc2)N)=O)cc(c1)OCCCCCCC)=O)c1nc(ccc1)N
SPLASH splash10-0a4i-2900000000-c71596440e1d3ec3895e
Source of Spectrum C-112-9589-0
Synonyms N(1),N(3)-bis(6-amino-2-pyridinyl)-5-(heptyloxy)isophthalamide
Wiley ID 1391045