AC1LEWAJ
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
Also Known As: Oprea1_319861|Oprea1_453617|BAS 01130003|VU0356848-2|2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide|F3229-0066|AG-690/13114080|2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(thiazol-2-yl)acetamide|2-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(1,3-thiazol-2-yl)aceta mide|N-(1,3-thiazol-2-yl)(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
| Molecular Formula | C12H12N6O3S |
|---|---|
| Molecular Weight | 320.06915 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06915 |
| Monoisotopic Mass | 320.06915 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 314042-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC=CS3 |
| InChIKey | MFFJBRVMBXDSLV-UHFFFAOYSA-N |
Product Overview
AC1LEWAJ (CAS 314042-97-2), with molecular formula C12H12N6O3S and molecular weight 320.06915 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.