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5-[4-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylamino)phenyl]4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
SpectraBase Compound ID AWyOTXTeHbO
InChI InChI=1S/C20H25N9O2S/c1-27-16(25-26-20(27)32)14-2-4-15(5-3-14)21-17-22-18(28-6-10-30-11-7-28)24-19(23-17)29-8-12-31-13-9-29/h2-5H,6-13H2,1H3,(H,26,32)(H,21,22,23,24)
InChIKey NGRMQLDAMRCUIT-UHFFFAOYSA-N
Mol Weight 455.54 g/mol
Molecular Formula C20H25N9O2S
Exact Mass 455.185192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSnh9fqv2po
Name 5-[4-(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-ylamino)phenyl]4-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N9O2S
InChI InChI=1S/C20H25N9O2S/c1-27-16(25-26-20(27)32)14-2-4-15(5-3-14)21-17-22-18(28-6-10-30-11-7-28)24-19(23-17)29-8-12-31-13-9-29/h2-5H,6-13H2,1H3,(H,26,32)(H,21,22,23,24)
InChIKey NGRMQLDAMRCUIT-UHFFFAOYSA-N
Molecular Weight 455.541 g/mol
SMILES N1N=C(c2ccc(Nc3nc(N4CCOCC4)nc(n3)N3CCOCC3)cc2)N(C1=S)C
SPLASH splash10-0a4i-0000900000-a50c6af4c3e76db174d6
Source of Spectrum Y-45-1219-5
Synonyms 3-[4-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]amino]phenyl]-4-methyl-1H-1,2,4-triazole-5-thione 3-[4-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]phenyl]-4-methyl-1H-1,2,4-triazole-5-thione 3-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]-4-methyl-1H-1,2,4-triazole-5-thione
Wiley ID 1666383