9D9
Summary
| Name: | [5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid |
| Synonyms: | DFPP-DG |
| Formula: | C11 H15 F2 N4 O4 P |
| Formal charge: | 0 |
| Formula weight: | 336.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [5-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluoropentyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [5-(2-azanyl-4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-1,1-bis(fluoranyl)pentyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)C(CCCCc1c2c(nc1)C(NC(=N2)N)=O)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18) |
| InChIKey | InChI | 1.03 | OISKFAFOKMNXNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2c(CCCCC(F)(F)[P](O)(O)=O)c[nH]c2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2c(CCCCC(F)(F)[P](O)(O)=O)c[nH]c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O |
