JXH
Summary
| Name: | 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine |
| Formula: | C10 H12 Br N5 O |
| Formal charge: | 0 |
| Formula weight: | 298.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | FIUISBLUSBJAII-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n([C@H]3CCCCO3)c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)[C@H]3CCCCO3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)C3CCCCO3)N |
