BG2
Summary
| Name: | 8-bromoguanosine |
| Formula: | C10 H12 Br N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 362.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-bromoguanosine |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-8-bromanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c2nc(Br)n(c2N=C(N)N1)C3OC(C(O)C3O)CO |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | ASUCSHXLTWZYBA-UMMCILCDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=Nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(Br)nc2C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=Nc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(Br)nc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O |
