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2-(Benzylamino)-8,9-dihydro-3-methyl-6-p-tolyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID 9y2zFAf8Tll
InChI InChI=1S/C22H23N5O/c1-15-8-10-17(11-9-15)18-12-13-23-20-19(25-18)21(28)27(2)22(26-20)24-14-16-6-4-3-5-7-16/h3-11,23H,12-14H2,1-2H3,(H,24,26)
InChIKey MWKXOWFSTRRQAG-UHFFFAOYSA-N
Mol Weight 373.46 g/mol
Molecular Formula C22H23N5O
Exact Mass 373.19026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErwOwGyWzr4
Name 2-(Benzylamino)-8,9-dihydro-3-methyl-6-p-tolyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N5O
InChI InChI=1S/C22H23N5O/c1-15-8-10-17(11-9-15)18-12-13-23-20-19(25-18)21(28)27(2)22(26-20)24-14-16-6-4-3-5-7-16/h3-11,23H,12-14H2,1-2H3,(H,24,26)
InChIKey MWKXOWFSTRRQAG-UHFFFAOYSA-N
Molecular Weight 373.460 g/mol
SMILES N(C1=NC2=C(C(N1C)=O)N=C(c1ccc(cc1)C)CCN2)Cc1ccccc1
SPLASH splash10-0006-9114000000-868c8e401f7267460493
Source of Spectrum Y-51-200-5e
Synonyms 2-(benzylamino)-3-methyl-6-(p-tolyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Wiley ID 1741832