EWX
Summary
| Name: | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one |
| Formula: | C14 H16 N6 O3 |
| Formal charge: | 0 |
| Formula weight: | 316.315 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19) |
| InChIKey | InChI | 1.03 | XWTNEKDECZWUJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1 |
| SMILES | CACTVS | 3.385 | COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCOc1nc(c2c(n1)N(C(=O)N2)Cc3cccnc3)N |
