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2-(Benzylamino)-8,9-dihydro-6-p-tolyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID AMtNjVLRFse
InChI InChI=1S/C21H21N5O/c1-14-7-9-16(10-8-14)17-11-12-22-19-18(24-17)20(27)26-21(25-19)23-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H3,22,23,25,26,27)
InChIKey VLXABTIWEQQSDN-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 VK06tKXEax
Name 2-(Benzylamino)-8,9-dihydro-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 C21H21N5O
InChI InChI=1S/C21H21N5O/c1-14-7-9-16(10-8-14)17-11-12-22-19-18(24-17)20(27)26-21(25-19)23-13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H3,22,23,25,26,27)
InChIKey VLXABTIWEQQSDN-UHFFFAOYSA-N
Molecular Weight 359.433 g/mol
SMILES N1C(=NC2=C(N=C(c3ccc(cc3)C)CCN2)C1=O)NCc1ccccc1
SPLASH splash10-0006-9123000000-4b81c02a7e733d3e2127
Source of Spectrum Y-51-200-5k
Synonyms 2-(benzylamino)-6-(p-tolyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Wiley ID 1741827