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1,3-DIMETHYL-5-(N-PHENYLBENZIMIDOYL)-6-TRIPHENYLPHOSPHORANYLIDENEAMINO-PYRIMIDINE-2,4-(1H,3H)-DIONE
SpectraBase Compound ID EeyAIFV0gQl
InChI InChI=1S/C37H31N4O2P/c1-40-35(39-44(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32)33(36(42)41(2)37(40)43)34(28-18-8-3-9-19-28)38-29-20-10-4-11-21-29/h3-27H,1-2H3/b38-34+
InChIKey STRGAINDUIWJPI-XCWGLRIOSA-N
Mol Weight 594.7 g/mol
Molecular Formula C37H31N4O2P
Exact Mass 594.218463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YUJwOsP8e7
Name 1,3-Dimethyl-5-(N-phenybenzimidoyl)-6-triphenylphosphoranylamino-pyrimidine-2,4(1H,3H)-dione
Comments Less than 3 mono-isotopic peaks
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Formula C37H31N4O2P
InChI InChI=1S/C37H31N4O2P/c1-40-35(39-44(30-22-12-5-13-23-30,31-24-14-6-15-25-31)32-26-16-7-17-27-32)33(36(42)41(2)37(40)43)34(28-18-8-3-9-19-28)38-29-20-10-4-11-21-29/h3-27H,1-2H3/b38-34+
InChIKey STRGAINDUIWJPI-XCWGLRIOSA-N
Molecular Weight 594.655 g/mol
SMILES C1(=C(N(C)C(N(C1=O)C)=O)N=P(c1ccccc1)(c1ccccc1)c1ccccc1)\C(=N\c1ccccc1)c1ccccc1
SPLASH splash10-014i-0000090000-3abc11389d2f49aa0a5f
Source of Spectrum H1-35-1062-14
Synonyms 1,3-dimethyl-5-[(E)-phenyl(phenylimino)methyl]-6-[(triphenylphosphoranylidene)amino]-2,4(1H,3H)-pyrimidinedione
Wiley ID 755012