RJE
Summary
| Name: | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one |
| Formula: | C16 H19 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 329.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O3/c1-17-13-12-14(20-15(19-13)24-9-8-23-2)21(16(22)18-12)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,18,22)(H,17,19,20) |
| InChIKey | InChI | 1.03 | OSILWVXKFRDCIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12 |
| SMILES | CACTVS | 3.385 | CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3 |
