A1AI8
Summary
| Name: | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Formula: | C12 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 232.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{(1R)-1-[(3R)-oxolan-3-yl]ethyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-[(3~{S})-oxolan-3-yl]ethyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(Nc1ncnc2[NH]ccc12)C1CCOC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N4O/c1-8(9-3-5-17-6-9)16-12-10-2-4-13-11(10)14-7-15-12/h2,4,7-9H,3,5-6H2,1H3,(H2,13,14,15,16)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.06 | ZNTSCEDVMSQTAB-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Nc1ncnc2[nH]ccc12)[C@@H]3CCOC3 |
| SMILES | CACTVS | 3.385 | C[CH](Nc1ncnc2[nH]ccc12)[CH]3CCOC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@@H]1CCOC1)Nc2c3cc[nH]c3ncn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1CCOC1)Nc2c3cc[nH]c3ncn2 |
