2-{(4Ar,7Ar)-2-Amino-7A-[4-(3-Cyanophenyl)-2-Thienyl]-3-Methyl-4-Oxo-3,4,4A,5,7,7A-Hexahydro-6H-Pyrrolo[3,4-D]Pyrimidin-6-Yl}Nicotinonitrile
Properties
| Property | Value |
|---|---|
| Formula | C24H19N7OS |
| IUPAC Name | 2-[(4ar,7ar)-2-amino-7a-[4-(3-cyanophenyl)-2-thienyl]-3-methyl-4-oxo-5,7-dihydro-4ah-pyrrolo[3,4-d]pyrimidin-6-yl]pyridine-3-carbonitrile |
| Molecular Mass | 453.519 g·mol−1 |
| Heat of Formation | 574.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.41 ± 1.08 D |
| Volume | 516.19 Å 3 |
| Surface Area | 436.86 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -1.25 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LWVMTILRDSZVMA-CYFREDJKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |