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2-(Benzylamino)-6-(4-chlorophenyl)-8,9-dihydro-3-methyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID 9Szbhp6prpY
InChI InChI=1S/C21H20ClN5O/c1-27-20(28)18-19(26-21(27)24-13-14-5-3-2-4-6-14)23-12-11-17(25-18)15-7-9-16(22)10-8-15/h2-10,23H,11-13H2,1H3,(H,24,26)
InChIKey GPPOXIFWSJMUJG-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C21H20ClN5O
Exact Mass 393.135638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7w5mgzV01Jv
Name 2-(Benzylamino)-6-(4-chlorophenyl)-8,9-dihydro-3-methyl-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClN5O
InChI InChI=1S/C21H20ClN5O/c1-27-20(28)18-19(26-21(27)24-13-14-5-3-2-4-6-14)23-12-11-17(25-18)15-7-9-16(22)10-8-15/h2-10,23H,11-13H2,1H3,(H,24,26)
InChIKey GPPOXIFWSJMUJG-UHFFFAOYSA-N
Molecular Weight 393.878 g/mol
SMILES N(C1=NC2=C(C(N1C)=O)N=C(c1ccc(Cl)cc1)CCN2)Cc1ccccc1
SPLASH splash10-0006-9103000000-157a94da760cef34424e
Source of Spectrum Y-51-199-5b
Synonyms 2-(Benzylamino)-6-(4-chlorophenyl)-8,9-dihydro-3-methyl-3Hpyrimido[4,5-b][1,4]diazepin-4(7H)-one 2-(benzylamino)-6-(4-chlorophenyl)-3-methyl-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Wiley ID 1741835