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1-(Phenylmethyl)-7-(2-pyridinyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

1-(Phenylmethyl)-7-(2-pyridinyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 22fa1yF5B6w
InChI InChI=1S/C20H13F6N5O2/c21-19(22,23)18(20(24,25)26)13-15(28-14(30-18)12-8-4-5-9-27-12)31(17(33)29-16(13)32)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,28,30)(H,29,32,33)
InChIKey KMUSEIBRPWHHJH-UHFFFAOYSA-N
Mol Weight 469.35 g/mol
Molecular Formula C20H13F6N5O2
Exact Mass 469.097344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LP4qgJ9bFJk
Name 1-(Phenylmethyl)-7-(2-pyridinyl)-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 C20H13F6N5O2
InChI InChI=1S/C20H13F6N5O2/c21-19(22,23)18(20(24,25)26)13-15(28-14(30-18)12-8-4-5-9-27-12)31(17(33)29-16(13)32)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,28,30)(H,29,32,33)
InChIKey KMUSEIBRPWHHJH-UHFFFAOYSA-N
Molecular Weight 469.347 g/mol
SMILES N1C(C=2C(N=C(NC2N(Cc2ccccc2)C1=O)c1ncccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-9200200000-c2da23721e13f7ee5bfa
Synonyms 1-(Phenylmethyl)-7-pyridin-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-Benzyl-7-(2-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-Benzyl-7-(2-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-Benzyl-7-pyridin-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1442554