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12-Amino-7-(4-fluorophenyl)-6,6a,7,8-tetrahydro-5H-naphtho[1,2-e]pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID Iq5ROgRLu33
InChI InChI=1S/C21H18FN5/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 IPFCUCSXQMBYRG-UHFFFAOYSA-N
Mol Weight 359.41 g/mol
Molecular Formula C21H18FN5
Exact Mass 359.154624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL3dDvYG5JU
Name 12-Amino-7-(4-fluorophenyl)-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 C21H18FN5
InChI InChI=1S/C21H18FN5/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 IPFCUCSXQMBYRG-UHFFFAOYSA-N
Molecular Weight 359.408 g/mol
SMILES N1C(C2C(=Nc3c(ncnc13)N)c1c(CC2)cccc1)c1ccc(cc1)F
SPLASH splash10-0a4i-0049000000-a385b5a3eeda535bd9df
Source of Spectrum F2-45-2843-4c
Wiley ID 1689248