For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Benzyl-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID LLX1mTybNa1
InChI InChI=1S/C16H12F6N4O2/c1-8-23-11-10(14(25-8,15(17,18)19)16(20,21)22)12(27)24-13(28)26(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,23,25)(H,24,27,28)
InChIKey SVCFEQCBHDGSOU-UHFFFAOYSA-N
Mol Weight 406.29 g/mol
Molecular Formula C16H12F6N4O2
Exact Mass 406.086445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1f73XjAee4p
Name 1-Benzyl-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F6N4O2
InChI InChI=1S/C16H12F6N4O2/c1-8-23-11-10(14(25-8,15(17,18)19)16(20,21)22)12(27)24-13(28)26(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,23,25)(H,24,27,28)
InChIKey SVCFEQCBHDGSOU-UHFFFAOYSA-N
Molecular Weight 406.288 g/mol
SMILES N1C(=NC(C2=C1N(C(NC2=O)=O)Cc1ccccc1)(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-0006-9100000000-7dd806078894ce971045
Synonyms 1-Benzyl-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-Benzyl-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 7-Methyl-1-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1442762