RVQ
Summary
| Name: | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine |
| Formula: | C20 H22 Cl2 N8 O |
| Formal charge: | 0 |
| Formula weight: | 461.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22Cl2N8O/c1-11(2)30-10-24-17-18(27-20(28-19(17)30)29-3-5-31-6-4-29)23-9-16-25-14-7-12(21)13(22)8-15(14)26-16/h7-8,10-11H,3-6,9H2,1-2H3,(H,25,26)(H,23,27,28) |
| InChIKey | InChI | 1.06 | DPCUNIIUTMKIKJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1cnc2c(NCc3[nH]c4cc(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | CC(C)n1cnc2c(NCc3[nH]c4cc(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)n1cnc2c1nc(nc2NCc3[nH]c4cc(c(cc4n3)Cl)Cl)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)n1cnc2c1nc(nc2NCc3[nH]c4cc(c(cc4n3)Cl)Cl)N5CCOCC5 |
