JY2
Summary
| Name: | 8-methyl-9-pent-4-ynyl-purin-6-amine |
| Formula: | C11 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 215.254 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-methyl-9-pent-4-ynyl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13N5/c1-3-4-5-6-16-8(2)15-9-10(12)13-7-14-11(9)16/h1,7H,4-6H2,2H3,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | XNRGOKLMAXATIA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2c(N)ncnc2n1CCCC#C |
| SMILES | CACTVS | 3.385 | Cc1nc2c(N)ncnc2n1CCCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(ncnc2n1CCCC#C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(ncnc2n1CCCC#C)N |
