A1I61
Summary
| Name: | 2-azanyl-6-cyclohexyl-4-ethoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| Formula: | C14 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 276.334 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-6-cyclohexyl-4-ethoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H20N4O2/c1-2-20-12-11-10(16-14(15)17-12)8-18(13(11)19)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17) |
| InChIKey | InChI | 1.06 | OHMOSKPEUXXALI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1nc(N)nc2CN(C3CCCCC3)C(=O)c12 |
| SMILES | CACTVS | 3.385 | CCOc1nc(N)nc2CN(C3CCCCC3)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3 |
