IY0
Summary
| Name: | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate |
| Formula: | C9 H10 N3 O8 P |
| Formal charge: | 0 |
| Formula weight: | 319.165 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18) |
| InChIKey | InChI | 1.06 | KCVPKYRTVHKUFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)c2c(c(c(o2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CN(C(=O)N=C1N)c2c(c(c(o2)COP(=O)(O)O)O)O |
