6RH
Summary
| Name: | 4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid |
| Synonyms: | 9-(4-(phosphonobutil)hypoxanthine |
| Formula: | C9 H13 N4 O4 P |
| Formal charge: | 0 |
| Formula weight: | 272.198 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H13N4O4P/c14-9-7-8(10-5-11-9)13(6-12-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17) |
| InChIKey | InChI | 1.03 | SXKIHSHTTWSCGF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](O)(=O)CCCCn1cnc2C(=O)NC=Nc12 |
| SMILES | CACTVS | 3.385 | O[P](O)(=O)CCCCn1cnc2C(=O)NC=Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O |
