| Formula |
C21H15ClN6O2S |
| IUPAC Name |
5-chloro-3-(2-methoxyphenyl)-2-(purin-9-ium-7-id-6-ylsulfanylmethyl)quinazolin-4-one |
| Molecular Mass |
450.901 g·mol−1 |
| Heat of Formation |
233.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.78 ± 1.08 D |
| Volume |
477.68 Å 3 |
| Surface Area |
411.02 Å 2 |
| HOMO Energy |
-8.64 ± 0.55 eV |
| LUMO Energy |
1.92 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quinazolin-4(3h)-one
- 5-chloro-3-(2-methoxyphenyl)-2-[(7h-purin-6-ylthio)methyl]-4-quinazolinone
- 5-chloro-3-(2-methoxyphenyl)-2-[(7h-purin-6-ylthio)methyl]quinazolin-4-one
- pik-39
|
| InChIKey |
UMMYTDJYDSTEMB-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
|
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