Formula |
C13H10N6OS |
IUPAC Name |
4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile |
Molecular Mass |
298.323 g·mol−1 |
Heat of Formation |
2372.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.20 ± 1.08 D |
Volume |
306.32 Å 3 |
Surface Area |
299.88 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
-4.90 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]benzonitrile
- 4-[[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]methyl]benzonitrile
- 4-[[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]methyl]benzonitrile
- oprea1_352224
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InChIKey |
GWZOSZRSFBULCC-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
S
C
O
N
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