8IG
Summary
| Name: | 8-IODO-GUANINE |
| Formula: | C5 H4 I N5 O |
| Formal charge: | 0 |
| Formula weight: | 277.023 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-8-iodo-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-8-iodo-1,9-dihydropurin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic2nc1c(N=C(NC1=O)N)n2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2[nH]c(I)nc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2[nH]c(I)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c([nH]c(n1)I)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c12c([nH]c(n1)I)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H4IN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12) |
| InChIKey | InChI | 1.03 | SXGFECRAKVVEJT-UHFFFAOYSA-N |
