7UM
Summary
| Name: | 3-methyl-7-propyl-purine-2,6-dione |
| Formula: | C9 H12 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 208.217 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-7-propyl-purine-2,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15) |
| InChIKey | InChI | 1.03 | MHNVSFOURBQRPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cnc2N(C)C(=O)NC(=O)c12 |
| SMILES | CACTVS | 3.385 | CCCn1cnc2N(C)C(=O)NC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCn1cnc2c1C(=O)NC(=O)N2C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCn1cnc2c1C(=O)NC(=O)N2C |
