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10,12-Diamino-7-(4-nitrophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID 4Rk9fyl3SQ7
InChI InChI=1S/C21H19N7O2/c22-19-18-20(27-21(23)26-19)25-16(12-5-8-13(9-6-12)28(29)30)15-10-7-11-3-1-2-4-14(11)17(15)24-18/h1-6,8-9,15-16H,7,10H2,(H5,22,23,25,26,27)
InChIKey ZTAYSLSUAUDUMW-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C21H19N7O2
Exact Mass 401.160023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Pw08ttpAGl
Name 10,12-Diamino-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 C21H19N7O2
InChI InChI=1S/C21H19N7O2/c22-19-18-20(27-21(23)26-19)25-16(12-5-8-13(9-6-12)28(29)30)15-10-7-11-3-1-2-4-14(11)17(15)24-18/h1-6,8-9,15-16H,7,10H2,(H5,22,23,25,26,27)
InChIKey ZTAYSLSUAUDUMW-UHFFFAOYSA-N
Molecular Weight 401.430 g/mol
SMILES N1C(C2C(=Nc3c1nc(nc3N)N)c1c(CC2)cccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-0030900000-45092af190871db5cfaf
Source of Spectrum F2-45-2845-5d
Wiley ID 1689241