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7-(2-cyclohexylethyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

7-(2-cyclohexylethyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID ArBDWpAXn0M
InChI InChI=1S/C22H21F7N4O2/c23-13-7-9-14(10-8-13)33-17-16(18(34)31-19(33)35)20(21(24,25)26,22(27,28)29)32-15(30-17)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H,30,32)(H,31,34,35)
InChIKey UBVNUTACGAVBCV-UHFFFAOYSA-N
Mol Weight 506.42 g/mol
Molecular Formula C22H21F7N4O2
Exact Mass 506.155273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKAQ7l5iVZO
Name 7-(2-cyclohexylethyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21F7N4O2
InChI InChI=1S/C22H21F7N4O2/c23-13-7-9-14(10-8-13)33-17-16(18(34)31-19(33)35)20(21(24,25)26,22(27,28)29)32-15(30-17)11-6-12-4-2-1-3-5-12/h7-10,12H,1-6,11H2,(H,30,32)(H,31,34,35)
InChIKey UBVNUTACGAVBCV-UHFFFAOYSA-N
Molecular Weight 506.425 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)CCC1CCCCC1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)=O
SPLASH splash10-000i-3141900000-f1184f60cc380dac3448
Source of Spectrum IY-2-5020-8
Synonyms Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(2-cyclohexylethyl)-1-(4-fluorophenyl)-5,8-dihydro-5,5-bis(trifluoromethyl)- 7-(2-cyclohexylethyl)-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1658191