E9X
Summary
| Name: | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
| Formula: | C21 H27 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 414.932 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26) |
| InChIKey | InChI | 1.03 | XYRZUDPANKUJKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)c3ccc(cc3)Cl)N)N)C |
