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6-Amino-2,3-dihydro-2-(4'-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]diazepine
SpectraBase Compound ID 5la5KyQcMZ7
InChI InChI=1S/C21H17Cl2N5/c22-15-6-1-13(2-7-15)3-10-17-11-18(14-4-8-16(23)9-5-14)28-21-19(27-17)20(24)25-12-26-21/h1-10,12,18H,11H2,(H3,24,25,26,28)/b10-3+
InChIKey RUADKKBHIHVYTA-XCVCLJGOSA-N
Mol Weight 410.31 g/mol
Molecular Formula C21H17Cl2N5
Exact Mass 409.086101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1IWKt1U82a
Name 6-Amino-2,3-dihydro-2-(4'-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17Cl2N5
InChI InChI=1S/C21H17Cl2N5/c22-15-6-1-13(2-7-15)3-10-17-11-18(14-4-8-16(23)9-5-14)28-21-19(27-17)20(24)25-12-26-21/h1-10,12,18H,11H2,(H3,24,25,26,28)/b10-3+
InChIKey RUADKKBHIHVYTA-XCVCLJGOSA-N
Molecular Weight 410.308 g/mol
SMILES N1C(CC(=Nc2c(ncnc12)N)\C=C\c1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH splash10-08gi-1241900000-d284f24881ad114d5048
Source of Spectrum Y-36-936-3
Synonyms 8-(4-Chlorophenyl)-6-[(E)-2-(4-chlorophenyl)vinyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine 8-(4-Chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine
Wiley ID 762599