JXT
Summary
| Name: | 8-bromanyl-9-pent-4-ynyl-purin-6-amine |
| Formula: | C10 H10 Br N5 |
| Formal charge: | 0 |
| Formula weight: | 280.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-bromanyl-9-pent-4-ynyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H10BrN5/c1-2-3-4-5-16-9-7(15-10(16)11)8(12)13-6-14-9/h1,6H,3-5H2,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | WCMPBWUQKLZDKB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncnc2n(CCCC#C)c(Br)nc12 |
| SMILES | CACTVS | 3.385 | Nc1ncnc2n(CCCC#C)c(Br)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C#CCCCn1c2c(c(ncn2)N)nc1Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | C#CCCCn1c2c(c(ncn2)N)nc1Br |
