isonicotinaldehyde [7-(4-bromobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone

SpectraBase Compound ID	Aenh7jnHbDf
InChI	InChI=1S/C20H18BrN7O2/c1-26-17-16(18(29)27(2)20(26)30)28(12-14-3-5-15(21)6-4-14)19(24-17)25-23-11-13-7-9-22-10-8-13/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey	CWENBNGFYBKLFE-FOKLQQMPSA-N Google Search
Mol Weight	468.32 g/mol
Molecular Formula	C20H18BrN7O2
Exact Mass	467.070536 g/mol

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SpectraBase Spectrum ID	KSTOuHpNCfy
Name	Isonicotinaldehyde [7-(4-bromobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	467.070535846 u
Formula	C20H18BrN7O2
InChI	InChI=1S/C20H18BrN7O2/c1-26-17-16(18(29)27(2)20(26)30)28(12-14-3-5-15(21)6-4-14)19(24-17)25-23-11-13-7-9-22-10-8-13/h3-11H,12H2,1-2H3,(H,24,25)/b23-11+
InChIKey	CWENBNGFYBKLFE-FOKLQQMPSA-N
Molecular Weight	468.315 g/mol
SMILES	N(C1=NC2=C(N1CC=1C=CC(=CC1)Br)C(=O)N(C(N2C)=O)C)\N=C\C=1C=CN=CC1