1-{4-[3-Ethyl-7-(4-Morpholinyl)-3H-[1,2,3]Triazolo[4,5-D]Pyrimidin-5-Yl]Phenyl}-3-{4-[(4-Methyl-1-Piperazinyl)Carbonyl]Phenyl}Urea

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Formula C29H34N10O3
IUPAC Name 1-[4-(3-ethyl-7-morpholin-4-yltriazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
Molecular Mass 570.645 g·mol−1
Heat of Formation 98.5 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 669.25 Å 3
Surface Area 569.13 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey ZAXFYGBKZSQBIV-UHFFFAOYSA-N
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