N-(2,4-Dimethoxyphenyl)-N'-(2,6-Dimethylphenyl)-N-(6-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-4-Pyrimidinyl)Carbamimidic Acid

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Formula C32H37N7O3
IUPAC Name 1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]urea
Molecular Mass 567.681 g·mol−1
Heat of Formation -34.7 ± 16.7 kJ·mol−1
Dipole Moment 7.88 ± 1.08 D
Volume 699.5 Å 3
Surface Area 520.24 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
InChIKey UYUHRKLITDJEHB-UHFFFAOYSA-N
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