Formula |
C20H27N5O3 |
IUPAC Name |
8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethyl-purine-4,5,8,9-tetraide-2,6-dione |
Molecular Mass |
385.460 g·mol−1 |
Heat of Formation |
-326.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.86 ± 1.08 D |
Volume |
474.96 Å 3 |
Surface Area |
406.5 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
2.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione
- 7-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-1,3-dimethyl-8-(phenylmethyl)-3,7-dihydro-1h-purine-2,6-dione
- 8-(benzyl)-7-[2-(ethyl-(2-hydroxyethyl)amino)ethyl]-1,3-dimethyl-xanthine
- 8-benzyl-7-2-(ethyl(2-hydroxyethyl)amino)ethyltheophylline
- 8-benzyl-7-[2-[ethyl-(2-hydroxyethyl)amino]ethyl]theophylline
- bamifyllin
- bamifylline
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InChIKey |
VVUYEFBRTFASAH-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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