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7-(4-fluorophenyl)-1-(2-methylpropyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 33rUI58Uv3D
InChI InChI=1S/C18H15F7N4O2/c1-8(2)7-29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)9-3-5-10(19)6-4-9/h3-6,8H,7H2,1-2H3,(H,26,28)(H,27,30,31)
InChIKey KSZZUBUPEUCUOC-UHFFFAOYSA-N
Mol Weight 452.33 g/mol
Molecular Formula C18H15F7N4O2
Exact Mass 452.108323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gz8Dgv3Yd3Z
Name 7-(4-fluorophenyl)-1-(2-methylpropyl)-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 C18H15F7N4O2
InChI InChI=1S/C18H15F7N4O2/c1-8(2)7-29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)9-3-5-10(19)6-4-9/h3-6,8H,7H2,1-2H3,(H,26,28)(H,27,30,31)
InChIKey KSZZUBUPEUCUOC-UHFFFAOYSA-N
Molecular Weight 452.333 g/mol
SMILES N1C(C=2C(N=C(NC2N(CC(C)C)C1=O)c1ccc(cc1)F)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-00ai-5419000000-fb621447ff649885a8d5
Synonyms 7-(4-fluorophenyl)-1-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(4-fluorophenyl)-1-isobutyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1443025