U7T
Summary
| Name: | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite |
| Synonyms: | 7,8-dihydro-8-oxo-1,N6-ethenoadenine |
| Formula: | C12 H14 N5 O6 P |
| Formal charge: | 0 |
| Formula weight: | 355.243 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-1~{H}-imidazo[2,1-f]purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphite |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H14N5O6P/c18-6-3-8(23-7(6)4-22-24(20)21)17-11-9(15-12(17)19)10-13-1-2-16(10)5-14-11/h1-2,5-8,18,20-21H,3-4H2,(H,15,19)/t6-,7+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | RDYCXWJDONFONO-XLPZGREQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](O[C@@H]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23 |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O[CH]1COP(O)O)N2C(=O)Nc3c4nccn4cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn2cnc3c(c2n1)NC(=O)N3[C@H]4C[C@@H]([C@H](O4)COP(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn2cnc3c(c2n1)NC(=O)N3C4CC(C(O4)COP(O)O)O |
