8AF
Summary
| Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
| Formula: | C23 H23 N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 510.439 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H23N6O6P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(35-18)10-34-36(32)33)25-13-6-5-12-7-11-3-1-2-4-14(11)15(12)8-13/h1-6,8,16-18,30,32-33H,7,9-10H2,(H,25,26)(H3,24,27,28,31)/t16-,17+,18+/m0/s1 |
| InChIKey | InChI | 1.03 | VSBNWWDZIACPPS-RCCFBDPRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([C@H]6C[C@H](O)[C@@H](COP(O)O)O6)c2N1 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([CH]6C[CH](O)[CH](COP(O)O)O6)c2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)COP(O)O)O)NC(=NC5=O)N |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc-2c(c1)Cc3c2cc(cc3)Nc4nc5c(n4C6CC(C(O6)COP(O)O)O)NC(=NC5=O)N |
