WG7
Summary
| Name: | (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid |
| Formula: | C10 H15 N4 O4 P |
| Formal charge: | 0 |
| Formula weight: | 286.224 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | 3-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)methylamino]propylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCNCc2cnc1C(NC=Nc12)=O)P(O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18) |
| InChIKey | InChI | 1.03 | BYPYXSLOGVUHEY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O |
