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2-(Benzylamino)-8,9-dihydro-6-(4-methoxyphenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID IzQJyvoJRxx
InChI InChI=1S/C21H21N5O2/c1-28-16-9-7-15(8-10-16)17-11-12-22-19-18(24-17)20(27)26-21(25-19)23-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H3,22,23,25,26,27)
InChIKey DKLXXRGIWKALSQ-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C21H21N5O2
Exact Mass 375.169525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74sM1bmzvPO
Name 2-(Benzylamino)-8,9-dihydro-6-(4-methoxyphenyl)-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O2
InChI InChI=1S/C21H21N5O2/c1-28-16-9-7-15(8-10-16)17-11-12-22-19-18(24-17)20(27)26-21(25-19)23-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H3,22,23,25,26,27)
InChIKey DKLXXRGIWKALSQ-UHFFFAOYSA-N
Molecular Weight 375.432 g/mol
SMILES N1C(=NC2=C(N=C(c3ccc(cc3)OC)CCN2)C1=O)NCc1ccccc1
SPLASH splash10-0006-9126000000-c774c5e7fd7e1e97a63d
Source of Spectrum Y-51-200-5l
Synonyms 2-(benzylamino)-6-(4-methoxyphenyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Wiley ID 1741826