3-{5-[(4Ar,7Ar)-2-Amino-6-(3-Methoxy-2-Pyridinyl)-3-Methyl-4-Oxo-3,4,4A,5,6,7-Hexahydro-7Ah-Pyrrolo[3,4-D]Pyrimidin-7A-Yl]-3-Thienyl}Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C24H22N6O2S |
| IUPAC Name | 3-[5-[(4ar,6r,7ar)-2-imino-6-(3-methoxy-2-pyridyl)-3-methyl-4-oxo-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]benzonitrile |
| Molecular Mass | 458.535 g·mol−1 |
| Heat of Formation | 284.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.25 ± 1.08 D |
| Volume | 521.96 Å 3 |
| Surface Area | 438.13 Å 2 |
| HOMO Energy | -8.63 ± 0.55 eV |
| LUMO Energy | 2.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OVZBZLASXPSCEA-UUOWRZLLSA-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 |