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6-[(Triphenylphosphoranyl)amino]-3,6-dihydro-3-phenyl-5-[(p-methylphenyl)amino]-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
SpectraBase Compound ID 5YPEZXNFDxf
InChI InChI=1S/C35H28N7OP/c1-26-22-24-27(25-23-26)36-35-37-33-32(38-39-41(33)28-14-6-2-7-15-28)34(43)42(35)40-44(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25H,1H3,(H,36,37)
InChIKey FEYSKRWMJZXQSU-UHFFFAOYSA-N
Mol Weight 593.6 g/mol
Molecular Formula C35H28N7OP
Exact Mass 593.209296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbAgYNjB27j
Name 6-[(Triphenylphosphoranyl)amino]-3,6-dihydro-3-phenyl-5-[(p-methylphenyl)amino]-7H-1,2,3-triazolo[4,5-d]pyrimidin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28N7OP
InChI InChI=1S/C35H28N7OP/c1-26-22-24-27(25-23-26)36-35-37-33-32(38-39-41(33)28-14-6-2-7-15-28)34(43)42(35)40-44(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31/h2-25H,1H3,(H,36,37)
InChIKey FEYSKRWMJZXQSU-UHFFFAOYSA-N
Molecular Weight 593.631 g/mol
SMILES N(C1=Nc2c(C(N1N=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)nn[n]2-c1ccccc1)c1ccc(cc1)C
SPLASH splash10-01si-8953030000-aefa13fdc15ff639b869
Source of Spectrum F5-4-132-6c
Synonyms 3-Phenyl-5-(p-tolylamino)-6-((triphenylphosphoranylidene)amino)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one 5-(4-Methylanilino)-3-phenyl-6-(triphenylphosphoranylideneamino)-7-triazolo[4,5-d]pyrimidinone 5-(4-Methylanilino)-3-phenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]triazolo[4,5-d]pyrimidin-7-one 5-[(4-methylphenyl)amino]-3-phenyl-6-[(triphenyl-$l^{5}-phosphanylidene)amino]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Wiley ID 1732639