8MF
Summary
| Name: | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
| Formula: | C13 H9 Br Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 382.6 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9BrClN5O2/c14-8-2-10-9(21-5-22-10)1-6(8)4-20-12-7(3-17-20)11(15)18-13(16)19-12/h1-3H,4-5H2,(H2,16,18,19) |
| InChIKey | InChI | 1.03 | BIABSXPPEYWVER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1 |
| SMILES | CACTVS | 3.385 | Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl |
