A1IVH
Summary
| Name: | [5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]pentoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| Formula: | C19 H26 Cl N5 O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 517.84 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]pentoxy-oxidanyl-phosphoryl]methylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H26ClN5O6P2/c1-24(12-15-8-4-2-5-9-15)17-16-18(23-19(20)22-17)25(13-21-16)10-6-3-7-11-31-33(29,30)14-32(26,27)28/h2,4-5,8-9,13H,3,6-7,10-12,14H2,1H3,(H,29,30)(H2,26,27,28) |
| InChIKey | InChI | 1.06 | OLMZSRUZLJBCCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(Cc1ccccc1)c2nc(Cl)nc3n(CCCCCO[P](O)(=O)C[P](O)(O)=O)cnc23 |
| SMILES | CACTVS | 3.385 | CN(Cc1ccccc1)c2nc(Cl)nc3n(CCCCCO[P](O)(=O)C[P](O)(O)=O)cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)CCCCCOP(=O)(CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccccc1)c2c3c(nc(n2)Cl)n(cn3)CCCCCOP(=O)(CP(=O)(O)O)O |
