EXU
Summary
| Name: | 1,3,7-trimethyl-9H-purine-2,6,8-trione |
| Formula: | C8 H10 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 210.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,3,7-trimethyl-9~{H}-purine-2,6,8-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14) |
| InChIKey | InChI | 1.03 | BYXCFUMGEBZDDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(C)C2=C(N(C)C(=O)N2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C |
