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3-(4-Chlorophenyl)-5-di(n-butyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 6DAbojtw10F
InChI InChI=1S/C24H27ClN6O/c1-3-5-16-29(17-6-4-2)24-26-22-21(23(32)30(24)19-10-8-7-9-11-19)27-28-31(22)20-14-12-18(25)13-15-20/h7-15H,3-6,16-17H2,1-2H3
InChIKey KDCMHVFFALRLGP-UHFFFAOYSA-N
Mol Weight 450.97 g/mol
Molecular Formula C24H27ClN6O
Exact Mass 450.193487 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HN1y9jeK4VL
Name 3-(4-Chlorophenyl)-5-di(n-butyl)amino-6-phenyl-3,6-dihydro-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27ClN6O
InChI InChI=1S/C24H27ClN6O/c1-3-5-16-29(17-6-4-2)24-26-22-21(23(32)30(24)19-10-8-7-9-11-19)27-28-31(22)20-14-12-18(25)13-15-20/h7-15H,3-6,16-17H2,1-2H3
InChIKey KDCMHVFFALRLGP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190201
Molecular Weight 450.974 g/mol
SMILES C1(=Nc2c(C(N1c1ccccc1)=O)nn[n]2-c1ccc(cc1)Cl)N(CCCC)CCCC
SPLASH splash10-004r-9512200000-fe16db836cebd47f5f47
Source of Spectrum CJC-29-992-4b
Synonyms 3-(4-Chlorophenyl)-5-(dibutylamino)-6-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
Wiley ID 1772568