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12-Amino-7-(4-bromophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID KSp13hNqhXd
InChI InChI=1S/C21H18BrN5/c22-14-8-5-13(6-9-14)17-16-10-7-12-3-1-2-4-15(12)18(16)26-19-20(23)24-11-25-21(19)27-17/h1-6,8-9,11,16-17H,7,10H2,(H3,23,24,25,27)
InChIKey KFGCPUQJCMWTEK-UHFFFAOYSA-N
Mol Weight 420.31 g/mol
Molecular Formula C21H18BrN5
Exact Mass 419.074559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4S4dcUG6yM
Name 12-Amino-7-(4-bromophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN5
InChI InChI=1S/C21H18BrN5/c22-14-8-5-13(6-9-14)17-16-10-7-12-3-1-2-4-15(12)18(16)26-19-20(23)24-11-25-21(19)27-17/h1-6,8-9,11,16-17H,7,10H2,(H3,23,24,25,27)
InChIKey KFGCPUQJCMWTEK-UHFFFAOYSA-N
Molecular Weight 420.314 g/mol
SMILES N1C(C2C(=Nc3c(ncnc13)N)c1c(CC2)cccc1)c1ccc(cc1)Br
SPLASH splash10-01i0-0051900000-517f2266c9efe9d64590
Source of Spectrum F2-45-2843-4b
Wiley ID 1689249