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N,N-Diethyl-N'-[2-(4-methoxyphenyl)pyrimido[5,4-c]cinnolin-4-yl]propane-1,3-diamine-semihydrate
SpectraBase Compound ID 8JU0ytZpkw0
InChI InChI=1S/C24H28N6O.H2O/c1-4-30(5-2)16-8-15-25-24-22-21(19-9-6-7-10-20(19)28-29-22)26-23(27-24)17-11-13-18(31-3)14-12-17;/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,25,26,27);1H2
InChIKey JCENIDVLXKANCT-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C24H30N6O2
Exact Mass 434.243024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqUEKOTy03N
Name N,N-Diethyl-N'-[2-(4-methoxyphenyl)pyrimido[5,4-c]cinnolin-4-yl]propane-1,3-diamine-semihydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N6O2
InChI InChI=1S/C24H28N6O.H2O/c1-4-30(5-2)16-8-15-25-24-22-21(19-9-6-7-10-20(19)28-29-22)26-23(27-24)17-11-13-18(31-3)14-12-17;/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,25,26,27);1H2
InChIKey JCENIDVLXKANCT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200500152
Molecular Weight 434.544 g/mol
SMILES O.N(CCCN(CC)CC)c1nc(nc2c1nnc1ccccc21)-c1ccc(cc1)OC
SPLASH splash10-03di-4901100000-1cef2efd4ecde6f258da
Source of Spectrum APC-338-594-6h
Synonyms N1,N1-diethyl-N3-(2-(4-methoxyphenyl)pyrimido[5,4-c]cinnolin-4-yl)propane-1,3-diamine hydrate
Wiley ID 1768678