JXK
Summary
| Name: | 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine |
| Formula: | C8 H11 Br N6 |
| Formal charge: | 0 |
| Formula weight: | 271.117 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11BrN6/c9-8-14-5-6(11)12-4-13-7(5)15(8)3-1-2-10/h4H,1-3,10H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | PUSZSAUISWVTAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCn1c(Br)nc2c(N)ncnc12 |
| SMILES | CACTVS | 3.385 | NCCCn1c(Br)nc2c(N)ncnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCN)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(c(n2)Br)CCCN)N |
