| Formula |
C29H27N7O |
| IUPAC Name |
6-[(1r,3s)-3-amino-1-piperidyl]-5-benzyl-4-oxo-3-(quinolin-1-ium-4a-id-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-1-ium-4a-ide-7-carbonitrile |
| Molecular Mass |
489.571 g·mol−1 |
| Heat of Formation |
454.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.68 ± 1.08 D |
| Volume |
590.08 Å 3 |
| Surface Area |
469.79 Å 2 |
| HOMO Energy |
-9.20 ± 0.55 eV |
| LUMO Energy |
1.00 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 6-[(3s)-3-amino-1-piperidinyl]-4-oxo-5-(phenylmethyl)-3-(4-quinolylmethyl)-7-pyrrolo[4,5-d]pyrimidinecarbonitrile
- 6-[(3s)-3-amino-1-piperidyl]-4-oxo-5-(phenylmethyl)-3-(4-quinolylmethyl)pyrrolo[4,5-d]pyrimidine-7-carbonitrile
- 6-[(3s)-3-amino-1-piperidyl]-5-(benzyl)-4-keto-3-(4-quinolylmethyl)pyrrolo[4,5-d]pyrimidine-7-carbonitrile
|
| InChIKey |
WRJSBPQWADEDBH-QFIPXVFZSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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