3-{5-[(4S)-2-Amino-1,4-Dimethyl-6-Oxo-1,4,5,6-Tetrahydro-4-Pyrimidinyl]-3-Thienyl}Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C17H16N4OS |
| IUPAC Name | 3-[5-[(4s)-2-amino-1,4-dimethyl-6-oxo-5h-pyrimidin-4-yl]-3-thienyl]benzonitrile |
| Molecular Mass | 324.400 g·mol−1 |
| Heat of Formation | 212.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.77 ± 1.08 D |
| Volume | 382.08 Å 3 |
| Surface Area | 329.87 Å 2 |
| HOMO Energy | -9.19 ± 0.55 eV |
| LUMO Energy | 1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MLNWGLXMDFUREO-KRWDZBQOSA-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 |