JO0
Summary
| Name: | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine |
| Formula: | C15 H15 Cl2 N5 |
| Formal charge: | 0 |
| Formula weight: | 336.219 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15Cl2N5/c16-10-3-1-2-9(6-10)7-22-8-18-12-13(19-11-4-5-11)20-15(17)21-14(12)22/h1-3,6,11,18H,4-5,7-8H2,(H,19,20,21) |
| InChIKey | InChI | 1.06 | XGODRLQJWOBUMJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1 |
| SMILES | CACTVS | 3.385 | Clc1cccc(CN2CNc3c(NC4CC4)nc(Cl)nc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2CNc3c2nc(nc3NC4CC4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CN2CNc3c2nc(nc3NC4CC4)Cl |
