UAN
Summary
| Name: | 9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-ONE |
| Formula: | C7 H9 N5 O |
| Formal charge: | 0 |
| Formula weight: | 179.179 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 9-methyl-2-(methylamino)-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13) |
| InChIKey | InChI | 1.03 | VUUPVSDSPZJFFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC1=Nc2n(C)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | CNC1=Nc2n(C)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC1=Nc2c(ncn2C)C(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC1=Nc2c(ncn2C)C(=O)N1 |
