I0H
Summary
| Name: | [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| Formula: | C12 H18 F N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 392.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18FN6O6P/c1-12(13)7(20)5(3-24-26(21,22)23)25-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20H,3H2,1-2H3,(H2,21,22,23)(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.06 | SJCUNPMCBONQDJ-GSWPYSDESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@]3(C)F |
| SMILES | CACTVS | 3.385 | CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[C]3(C)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2nc(nc3NC)N)COP(=O)(O)O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(C(C(OC1n2cnc3c2nc(nc3NC)N)COP(=O)(O)O)O)F |
