AFG
Summary
| Name: | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-AMINOFLUORENE |
| Formula: | C23 H23 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 526.438 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | [(2S,3R,5S)-5-[2-amino-8-(9H-fluoren-2-ylamino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31) |
| InChIKey | InChI | 1.03 | FAMJCWJWMDNVLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(C3CC(O)C(CO[P](O)(O)=O)O3)c(Nc4ccc5c(Cc6ccccc56)c4)nc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(C3CC(O)C(CO[P](O)(O)=O)O3)c(Nc4ccc5c(Cc6ccccc56)c4)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N |
