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12-Amino-7-(4-nitrophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID KOiwzQmNz1r
InChI InChI=1S/C21H18N6O2/c22-20-19-21(24-11-23-20)26-17(13-5-8-14(9-6-13)27(28)29)16-10-7-12-3-1-2-4-15(12)18(16)25-19/h1-6,8-9,11,16-17H,7,10H2,(H3,22,23,24,26)
InChIKey KCQYRAAKKZBNAT-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C21H18N6O2
Exact Mass 386.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUmH6CWkYa1
Name 12-Amino-7-(4-nitrophenyl)-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 C21H18N6O2
InChI InChI=1S/C21H18N6O2/c22-20-19-21(24-11-23-20)26-17(13-5-8-14(9-6-13)27(28)29)16-10-7-12-3-1-2-4-15(12)18(16)25-19/h1-6,8-9,11,16-17H,7,10H2,(H3,22,23,24,26)
InChIKey KCQYRAAKKZBNAT-UHFFFAOYSA-N
Molecular Weight 386.415 g/mol
SMILES N1C(C2C(=Nc3c(ncnc13)N)c1c(CC2)cccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-01p9-0049000000-fa3574571ced563f33ed
Source of Spectrum F2-45-2843-4d
Wiley ID 1689247