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10,12-Diamino-7-(4-bromophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID L9IWcdNsueR
InChI InChI=1S/C21H19BrN6/c22-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)25-18-19(23)27-21(24)28-20(18)26-16/h1-6,8-9,15-16H,7,10H2,(H5,23,24,26,27,28)
InChIKey XUAKVYFKIZQPJF-UHFFFAOYSA-N
Mol Weight 435.33 g/mol
Molecular Formula C21H19BrN6
Exact Mass 434.085458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GheorRs2Rkj
Name 10,12-Diamino-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 C21H19BrN6
InChI InChI=1S/C21H19BrN6/c22-13-8-5-12(6-9-13)16-15-10-7-11-3-1-2-4-14(11)17(15)25-18-19(23)27-21(24)28-20(18)26-16/h1-6,8-9,15-16H,7,10H2,(H5,23,24,26,27,28)
InChIKey XUAKVYFKIZQPJF-UHFFFAOYSA-N
Molecular Weight 435.329 g/mol
SMILES N1C(C2C(=Nc3c1nc(nc3N)N)c1c(CC2)cccc1)c1ccc(cc1)Br
SPLASH splash10-00oi-0050900000-7354b25ea60161fee162
Source of Spectrum F2-45-2845-5b
Wiley ID 1689243