JX9
Summary
| Name: | N-cyclohexyl-N-methyl-7H-purin-6-amine |
| Formula: | C12 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 231.297 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cyclohexyl-N-methyl-7H-purin-6-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclohexyl-~{N}-methyl-7~{H}-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(c1ncnc2nc[NH]c12)C1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H17N5/c1-17(9-5-3-2-4-6-9)12-10-11(14-7-13-10)15-8-16-12/h7-9H,2-6H2,1H3,(H,13,14,15,16) |
| InChIKey | InChI | 1.03 | OZPJIMVEOOWKCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C1CCCCC1)c2ncnc3nc[nH]c23 |
| SMILES | CACTVS | 3.385 | CN(C1CCCCC1)c2ncnc3nc[nH]c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1c2c(nc[nH]2)ncn1)C3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1c2c(nc[nH]2)ncn1)C3CCCCC3 |
