Formula |
C18H21ClN6O2 |
IUPAC Name |
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-4,5,8,9-tetraide-2,6-dione |
Molecular Mass |
388.851 g·mol−1 |
Heat of Formation |
-96.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.00 ± 1.08 D |
Volume |
434.58 Å 3 |
Surface Area |
352.43 Å 2 |
HOMO Energy |
-8.83 ± 0.55 eV |
LUMO Energy |
-0.52 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-xanthine
- 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione
- 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione
- bas 01547192
- oprea1_346946
- oprea1_567139
- stk261898
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InChIKey |
PDZWWGBRZISNRL-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
Cl
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