F1R
Summary
| Name: | N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine |
| Formula: | C21 H23 Cl N8 O |
| Formal charge: | 0 |
| Formula weight: | 438.913 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H23ClN8O/c1-31-13-5-7-16-15(11-13)18(14-6-4-12(22)10-17(14)27-16)25-8-2-3-9-26-21-29-19(23)28-20(24)30-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,27)(H5,23,24,26,28,29,30) |
| InChIKey | InChI | 1.03 | YRQBNFDRSZQBNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc4nc(N)nc(N)n4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3ccc(cc3n2)Cl)NCCCCNc4nc(nc(n4)N)N |
