7-Amino-1-Methyl-3-(2-Methyl-5-{[3-(Trifluoromethyl)Benzoyl]Amino}Phenyl)-2-Oxo-2,3-Dihydropyrimido[4,5-D]Pyrimidin-1-Ium

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Properties Simple | Detailed

Formula C22H18F3N6O2++
IUPAC Name n-[3-(2-amino-8-methyl-7-oxopyrimido[4,5-d]pyrimidin-8-ium-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
Molecular Mass 455.413 g·mol−1
Heat of Formation -599.0 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 489.5 Å 3
Surface Area 433.96 Å 2
Point Group Symmetry C1
Synonyms
  • 7mp
  • n-[3-(2-amino-7-keto-8-methyl-pyrimido[4,5-d]pyrimidin-8-ium-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
  • n-[3-(2-amino-8-methyl-7-oxo-6-pyrimido[4,5-d]pyrimidin-8-iumyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
  • n-[3-(2-amino-8-methyl-7-oxo-pyrimido[4,5-d]pyrimidin-8-ium-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
InChIKey SQOIIWIQKKMCCG-UHFFFAOYSA-O
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