TJU
Summary
| Name: | [(2~{R},3~{S},5~{R})-5-(4-azanyl-3-methyl-6-oxidanylidene-2~{H}-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
| Formula: | C9 H17 N4 O7 P |
| Formal charge: | 0 |
| Formula weight: | 324.228 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-5-(4-azanyl-3-methyl-6-oxidanylidene-2~{H}-1,3,5-triazin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H17N4O7P/c1-12-4-13(9(15)11-8(12)10)7-2-5(14)6(20-7)3-19-21(16,17)18/h5-7,14H,2-4H2,1H3,(H2,10,11,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | DIYNYEYZCDSJGH-RRKCRQDMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES | CACTVS | 3.385 | CN1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N=C1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O)O |
