7BH
Summary
| Name: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine |
| Formula: | C17 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 309.366 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | SXTKECRQJMUZOI-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1OC[C@H]2CCCN2c3ncnc4nc[nH]c34 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1OC[CH]2CCCN2c3ncnc4nc[nH]c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccccc1OCC2CCCN2c3c4c(nc[nH]4)ncn3 |
