Formula |
C25H32N8O |
IUPAC Name |
9-cyclopentyl-6-[2-[3-(4-methylpiperazin-1-yl)propoxy]anilino]-8h-purin-9-ium-8-ylium-2-carbonitrile |
Molecular Mass |
460.575 g·mol−1 |
Heat of Formation |
348.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.46 ± 1.08 D |
Volume |
573.08 Å 3 |
Surface Area |
477.96 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 9-cyclopentyl-6-({2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}amino)-9h-purine-2-carbonitrile
- 9-cyclopentyl-6-[[2-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]amino]-2-purinecarbonitrile
- 9-cyclopentyl-6-{2-[3-(4-methyl-piperazin-1-yl)-propoxy]-phenylamino}-9h-purine-2-carbonitrile
- 9-cyclopentyl-6-{2-[3-(4-methylpiperazin-1-yl)propoxy]phenylamino}-9h-purine-2-carbonitrile
- ihj
- nvp-abj688
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InChIKey |
VWGLHPDSAYQVRM-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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