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2-(Benzylamino)-6-(4-chlorophenyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
SpectraBase Compound ID FypIuEmOMw0
InChI InChI=1S/C20H18ClN5O/c21-15-8-6-14(7-9-15)16-10-11-22-18-17(24-16)19(27)26-20(25-18)23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,22,23,25,26,27)
InChIKey MLEJTTPVJWSJGI-UHFFFAOYSA-N
Mol Weight 379.85 g/mol
Molecular Formula C20H18ClN5O
Exact Mass 379.119988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELnlcihgJcH
Name 2-(Benzylamino)-6-(4-chlorophenyl)-8,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepin-4(7H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18ClN5O
InChI InChI=1S/C20H18ClN5O/c21-15-8-6-14(7-9-15)16-10-11-22-18-17(24-16)19(27)26-20(25-18)23-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H3,22,23,25,26,27)
InChIKey MLEJTTPVJWSJGI-UHFFFAOYSA-N
Molecular Weight 379.851 g/mol
SMILES N1C(=NC2=C(N=C(c3ccc(cc3)Cl)CCN2)C1=O)NCc1ccccc1
SPLASH splash10-0006-9117000000-8047b5f286d518c6c2cf
Source of Spectrum Y-51-200-5h
Wiley ID 1741830