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6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
SpectraBase Compound ID 3m26RNJ5HKq
InChI InChI=1S/C19H17BrN6/c20-13-8-6-12(7-9-13)14-10-15(11-4-2-1-3-5-11)24-18-16(23-14)17(21)25-19(22)26-18/h1-9,15H,10H2,(H5,21,22,24,25,26)
InChIKey MJFDOLYKGMHTOU-UHFFFAOYSA-N
Mol Weight 409.29 g/mol
Molecular Formula C19H17BrN6
Exact Mass 408.069808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NZrGnzYvUi
Name 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
Alternate Name(s) [2-amino-6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17BrN6
InChI InChI=1S/C19H17BrN6/c20-13-8-6-12(7-9-13)14-10-15(11-4-2-1-3-5-11)24-18-16(23-14)17(21)25-19(22)26-18/h1-9,15H,10H2,(H5,21,22,24,25,26)
InChIKey MJFDOLYKGMHTOU-UHFFFAOYSA-N
Molecular Weight 409.291 g/mol
SMILES Nc1c2c(nc(n1)N)NC(CC(=N2)c1ccc(cc1)Br)c1ccccc1
SPLASH splash10-0zfu-5829800000-1360b4a45a884259e26b
Source of Spectrum Y-37-194-3
Wiley ID 762681