S20
Summary
| Name: | (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol |
| Formula: | C22 H26 N4 O |
| Formal charge: | 0 |
| Formula weight: | 362.468 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol |
| OpenEye OEToolkits | 1.7.6 | (1S)-2-(6-azanyl-4-methyl-pyridin-2-yl)-1-[3-[2-(6-azanyl-4-methyl-pyridin-2-yl)ethyl]phenyl]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N)cc(cc1CCc2cccc(c2)C(O)Cc3nc(N)cc(c3)C)C |
| InChI | InChI | 1.03 | InChI=1S/C22H26N4O/c1-14-8-18(25-21(23)10-14)7-6-16-4-3-5-17(12-16)20(27)13-19-9-15(2)11-22(24)26-19/h3-5,8-12,20,27H,6-7,13H2,1-2H3,(H2,23,25)(H2,24,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | UYRPOLYEPACPCW-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cccc(c2)[C@@H](O)Cc3cc(C)cc(N)n3)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc(CCc2cccc(c2)[CH](O)Cc3cc(C)cc(N)n3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(nc(c1)N)CCc2cccc(c2)C(Cc3cc(cc(n3)N)C)O |
