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2-(Benzylamino)-8,9-dihydro-3-methyl-6-phenyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID 738riQThgwr
InChI InChI=1S/C21H21N5O/c1-26-20(27)18-19(25-21(26)23-14-15-8-4-2-5-9-15)22-13-12-17(24-18)16-10-6-3-7-11-16/h2-11,22H,12-14H2,1H3,(H,23,25)
InChIKey GPGIFKZVQQODBM-UHFFFAOYSA-N
Mol Weight 359.43 g/mol
Molecular Formula C21H21N5O
Exact Mass 359.17461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lwf63eZj1tk
Name 2-(Benzylamino)-8,9-dihydro-3-methyl-6-phenyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O
InChI InChI=1S/C21H21N5O/c1-26-20(27)18-19(25-21(26)23-14-15-8-4-2-5-9-15)22-13-12-17(24-18)16-10-6-3-7-11-16/h2-11,22H,12-14H2,1H3,(H,23,25)
InChIKey GPGIFKZVQQODBM-UHFFFAOYSA-N
Molecular Weight 359.433 g/mol
SMILES N(C1=NC2=C(C(N1C)=O)N=C(c1ccccc1)CCN2)Cc1ccccc1
SPLASH splash10-052f-9115000000-015760d7fd314b8cb016
Source of Spectrum Y-51-200-5d
Synonyms 2-(benzylamino)-3-methyl-6-phenyl-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Wiley ID 1741833