For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(Benzylamino)-8,9-dihydro-6-(4-nitrophenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID 1qr9wGJZg2m
InChI InChI=1S/C20H18N6O3/c27-19-17-18(24-20(25-19)22-12-13-4-2-1-3-5-13)21-11-10-16(23-17)14-6-8-15(9-7-14)26(28)29/h1-9H,10-12H2,(H3,21,22,24,25,27)
InChIKey LASYYUGTUZSRJY-UHFFFAOYSA-N
Mol Weight 390.4 g/mol
Molecular Formula C20H18N6O3
Exact Mass 390.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CPFIxa6CdcD
Name 2-(Benzylamino)-8,9-dihydro-6-(4-nitrophenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Alternate Name(s) 2-(benzylamino)-6-(4-nitrophenyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N6O3
InChI InChI=1S/C20H18N6O3/c27-19-17-18(24-20(25-19)22-12-13-4-2-1-3-5-13)21-11-10-16(23-17)14-6-8-15(9-7-14)26(28)29/h1-9H,10-12H2,(H3,21,22,24,25,27)
InChIKey LASYYUGTUZSRJY-UHFFFAOYSA-N
Molecular Weight 390.403 g/mol
SMILES N1C(=NC2=C(N=C(c3ccc(N(=O)=O)cc3)CCN2)C1=O)NCc1ccccc1
SPLASH splash10-0006-9073000000-fbf068fa9a4f3a23a04f
Source of Spectrum Y-51-200-5g
Wiley ID 1741831