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12-Amino-7-(4-methylphenyl)-6,6a,7,8-tetrahydro-5Hnaphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID 4rz77nBmsCc
InChI InChI=1S/C22H21N5/c1-13-6-8-15(9-7-13)18-17-11-10-14-4-2-3-5-16(14)19(17)26-20-21(23)24-12-25-22(20)27-18/h2-9,12,17-18H,10-11H2,1H3,(H3,23,24,25,27)
InChIKey UFJDCNYIPKKFCA-UHFFFAOYSA-N
Mol Weight 355.44 g/mol
Molecular Formula C22H21N5
Exact Mass 355.179696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FSaARiWI5I
Name 12-Amino-7-(4-methylphenyl)-6,6a,7,8-tetrahydro-5Hnaphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5
InChI InChI=1S/C22H21N5/c1-13-6-8-15(9-7-13)18-17-11-10-14-4-2-3-5-16(14)19(17)26-20-21(23)24-12-25-22(20)27-18/h2-9,12,17-18H,10-11H2,1H3,(H3,23,24,25,27)
InChIKey UFJDCNYIPKKFCA-UHFFFAOYSA-N
Molecular Weight 355.445 g/mol
SMILES N1C(C2C(=Nc3c(ncnc13)N)c1c(CC2)cccc1)c1ccc(cc1)C
SPLASH splash10-0a4i-0049000000-a1663fcd4d774c5dfa7c
Source of Spectrum F2-45-2845-4f
Wiley ID 1689245