W8J
Summary
| Name: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |
| Formula: | C12 H17 N5 O |
| Formal charge: | 0 |
| Formula weight: | 247.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | 3-[3-[(3~{S})-oxolan-3-yl]propyl]purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3 |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | GTHFXQJDSWIMIA-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncn(CCC[C@H]2CCOC2)c3ncnc13 |
| SMILES | CACTVS | 3.385 | Nc1ncn(CCC[CH]2CCOC2)c3ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc-2c(ncn(c2n1)CCC[C@H]3CCOC3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc-2c(ncn(c2n1)CCCC3CCOC3)N |
