AC1LFB6E
ethyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 05509247|SR-01000320128-1|ethyl 6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|ethyl 2-imino-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate|ethyl 2-imino-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.13788 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13788 |
| Monoisotopic Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 618080-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)C(C)C |
| InChIKey | WGCDXNGWQYSZRH-UHFFFAOYSA-N |
Product Overview
AC1LFB6E (CAS 618080-79-8), with molecular formula C17H18N4O3 and molecular weight 326.13788 g/mol. IUPAC: ethyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
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