W8D
Summary
| Name: | 3-{[(2R)-oxolan-2-yl]methyl}-3H-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 |
| ACDLabs | 12.01 | 3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[[(2~{R})-oxolan-2-yl]methyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C3(CN2C=NC(=C1N=CN=C12)N)CCCO3 |
| InChI | InChI | 1.03 | InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | GVRQWFFFCDLKPP-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncn(C[C@H]2CCCO2)c3ncnc13 |
| SMILES | CACTVS | 3.385 | Nc1ncn(C[CH]2CCCO2)c3ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc-2c(ncn(c2n1)CC3CCCO3)N |
