IFZ
Summary
| Name: | 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
| Formula: | C6 H6 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 228.049 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-bromanyl-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H6BrN5/c1-8-6-4-3(9-2-10-6)5(7)12-11-4/h2H,1H3,(H,11,12)(H,8,9,10) |
| InChIKey | InChI | 1.06 | AOVWLHFPQGGIAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncnc2c(Br)[nH]nc12 |
| SMILES | CACTVS | 3.385 | CNc1ncnc2c(Br)[nH]nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)Br)ncn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)Br)ncn1 |
