| Formula |
C22H26ClN7O3 |
| IUPAC Name |
2-[[(1r)-4'-[[(1s)-2-(chloromethyl)-3-methylene-cyclopropyl]amino]-2-methylene-7'-oxo-spiro[aziridin-1-ium-1,6'-pyrrolo[3,4-d]pyrimidine-1,3,6-triium]-2'-yl]-(4-nitroso-5-oxo-pent-4-en-2-ynyl)amino]acetonitrile |
| Molecular Mass |
471.940 g·mol−1 |
| Heat of Formation |
-105.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.18 ± 1.08 D |
| Volume |
542.38 Å 3 |
| Surface Area |
460.31 Å 2 |
| HOMO Energy |
-8.89 ± 0.55 eV |
| LUMO Energy |
2.20 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(4-chlorophenyl)amino]-2-[4-[(2e)-2-hydroximinopropanoyl]piperazin-1-yl]-6-isopropyl-5h-pyrrolo[4,3-e]pyrimidin-7-one
- 4-[(4-chlorophenyl)amino]-2-[4-[(2e)-2-hydroxyimino-1-oxopropyl]-1-piperazinyl]-6-isopropyl-5h-pyrrolo[4,3-e]pyrimidin-7-one
- 4-[(4-chlorophenyl)amino]-2-[4-[(2e)-2-hydroxyiminopropanoyl]piperazin-1-yl]-6-isopropyl-5h-pyrrolo[4,3-e]pyrimidin-7-one
- 4-[(4-chlorophenyl)amino]-2-[4-[(2e)-2-hydroxyiminopropanoyl]piperazin-1-yl]-6-propan-2-yl-5h-pyrrolo[4,3-e]pyrimidin-7-one
- pdsp1_000485
- pdsp2_000483
|
| InChIKey |
OYOSXTKSOATNNB-MZJWZYIUSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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