J7L
Summary
| Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide |
| Formula: | C15 H15 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 330.772 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21) |
| InChIKey | InChI | 1.06 | CRLYUORNSDIKQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C(=O)NC |
