IUQ
Summary
| Name: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine |
| Formula: | C11 H14 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 267.715 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16) |
| InChIKey | InChI | 1.06 | CJMFCWBNWSFXRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(Cl)nc2n(cnc12)[C@@H]3CCCCO3 |
| SMILES | CACTVS | 3.385 | CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)[C@@H]3CCCCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)C3CCCCO3 |
