IF3
Summary
| Name: | ~{N}2,~{N}6,9-trimethylpurine-2,6-diamine |
| Formula: | C8 H12 N6 |
| Formal charge: | 0 |
| Formula weight: | 192.221 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}2,~{N}6,9-trimethylpurine-2,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13) |
| InChIKey | InChI | 1.06 | YFZMXDSHFHHAQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1nc(NC)c2ncn(C)c2n1 |
| SMILES | CACTVS | 3.385 | CNc1nc(NC)c2ncn(C)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)NC)n(cn2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)NC)n(cn2)C |
