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N,N-Bis(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidn-5-yl)-4-bromo-benzimidimide
SpectraBase Compound ID 8TwizSWLIvD
InChI InChI=1S/C29H25BrN8O4/c30-20-13-11-19(12-14-20)25(33-21-23(31)37(28(41)35-26(21)39)15-17-7-3-1-4-8-17)34-22-24(32)38(29(42)36-27(22)40)16-18-9-5-2-6-10-18/h1-14H,15-16,31-32H2,(H,33,34)(H,35,39,41)(H,36,40,42)
InChIKey CCZDBPXWJNVSIW-UHFFFAOYSA-N
Mol Weight 629.48 g/mol
Molecular Formula C29H25BrN8O4
Exact Mass 628.118214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID II5DgtX9ZPv
Name N,N-Bis(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidn-5-yl)-4-bromo-benzimidimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 628.118214313 u
Formula C29H25BrN8O4
InChI InChI=1S/C29H25BrN8O4/c30-20-13-11-19(12-14-20)25(33-21-23(31)37(28(41)35-26(21)39)15-17-7-3-1-4-8-17)34-22-24(32)38(29(42)36-27(22)40)16-18-9-5-2-6-10-18/h1-14H,15-16,31-32H2,(H,33,34)(H,35,39,41)(H,36,40,42)
InChIKey CCZDBPXWJNVSIW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 5050A
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2021.103669
Molecular Weight 629.475 g/mol
Quality 19
SMILES N1C(N(C(=C(C1=O)NC(=NC1=C(N(C(NC1=O)=O)CC1=CC=CC=C1)N)C1=CC=C(C=C1)Br)N)CC1=CC=CC=C1)=O
SPLASH splash10-0fb9-0042139000-487168e9f8d70a805666
Source of Spectrum AJC-15-12-5 (DOI: 10.1016/j.arabjc.2021.103669)
Wiley ID 1908049