MWB
Summary
| Name: | N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine |
| Synonyms: | CD27 |
| Formula: | C18 H21 N7 |
| Formal charge: | 0 |
| Formula weight: | 335.406 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
| OpenEye OEToolkits | 1.7.6 | N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25) |
| InChIKey | InChI | 1.03 | AJWTXSLKVJNYAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2 |
| SMILES | CACTVS | 3.385 | C1CN=C(N1)Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Nc2ccc(cc2)NC3=NCCN3)NC4=NCCN4 |
