8WA
Summary
| Name: | N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine |
| Formula: | C18 H19 Cl3 N6 |
| Formal charge: | 0 |
| Formula weight: | 425.743 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N~1~-methylethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4~{R})-6,8-bis(chloranyl)-1,2,3,4-tetrahydroquinolin-4-yl]-~{N}'-(5-chloranyl-1~{H}-imidazo[4,5-b]pyridin-2-yl)-~{N}'-methyl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc2c(n1)nc(n2)N(C)CCNC3c4c(NCC3)c(cc(c4)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H19Cl3N6/c1-27(18-24-14-2-3-15(21)25-17(14)26-18)7-6-22-13-4-5-23-16-11(13)8-10(19)9-12(16)20/h2-3,8-9,13,22-23H,4-7H2,1H3,(H,24,25,26)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | XBDCSRQKOZIJKF-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCN[C@@H]1CCNc2c(Cl)cc(Cl)cc12)c3[nH]c4ccc(Cl)nc4n3 |
| SMILES | CACTVS | 3.385 | CN(CCN[CH]1CCNc2c(Cl)cc(Cl)cc12)c3[nH]c4ccc(Cl)nc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCNC1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl |
