For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2,4-Diamino-8-(2,4-dichlorothiazol-5-yl)-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine

View entire compound with spectra: 1 MS (GC)

2,4-Diamino-8-(2,4-dichlorothiazol-5-yl)-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine
SpectraBase Compound ID 7kOycqjObv5
InChI InChI=1S/C16H13Cl2N7S/c17-12-11(26-15(18)23-12)9-6-8(7-4-2-1-3-5-7)21-10-13(19)24-16(20)25-14(10)22-9/h1-5,9H,6H2,(H5,19,20,22,24,25)
InChIKey WYUKCGZVMOYEDC-UHFFFAOYSA-N
Mol Weight 406.3 g/mol
Molecular Formula C16H13Cl2N7S
Exact Mass 405.03302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B38PcHmmn7g
Name 2,4-Diamino-8-(2,4-dichlorothiazol-5-yl)-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13Cl2N7S
InChI InChI=1S/C16H13Cl2N7S/c17-12-11(26-15(18)23-12)9-6-8(7-4-2-1-3-5-7)21-10-13(19)24-16(20)25-14(10)22-9/h1-5,9H,6H2,(H5,19,20,22,24,25)
InChIKey WYUKCGZVMOYEDC-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.01.053
Molecular Weight 406.295 g/mol
SMILES N1c2nc(nc(c2N=C(CC1c1c(nc(s1)Cl)Cl)c1ccccc1)N)N
SPLASH splash10-002f-9052500000-32faee1579122ccf0a7e
Source of Spectrum EMC-92-873-7a
Synonyms 8-(2,4-dichlorothiazol-5-yl)-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
Wiley ID 1755240