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1-(4-Chlorophenyl)-7-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID AOKr8Sg2va
InChI InChI=1S/C21H13ClF6N4O2/c22-12-6-8-13(9-7-12)32-16-15(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-14(29-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,29,31)(H,30,33,34)
InChIKey PGCNDXDRUMHHEQ-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C21H13ClF6N4O2
Exact Mass 502.063122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NyhcZRgFz
Name 1-(4-Chlorophenyl)-7-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13ClF6N4O2
InChI InChI=1S/C21H13ClF6N4O2/c22-12-6-8-13(9-7-12)32-16-15(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-14(29-16)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,29,31)(H,30,33,34)
InChIKey PGCNDXDRUMHHEQ-UHFFFAOYSA-N
Molecular Weight 502.804 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)Cc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)Cl)=O
SPLASH splash10-001i-2321900000-36a4652c7df975d5a83b
Synonyms 7-Benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-Benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-Benzyl-1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1443032