KF5
Summary
| Name: | 9-[(2~{S})-oxan-2-yl]purin-6-amine |
| Formula: | C10 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 219.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[(2~{S})-oxan-2-yl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | ATNWAGKQIUHFQP-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[C@@H]3CCCCO3 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(cnc12)[CH]3CCCCO3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C3CCCCO3)N |
