BDY
Summary
| Name: | N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine |
| Formula: | C27 H30 Cl2 N6 O |
| Formal charge: | 0 |
| Formula weight: | 525.473 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [4-[5-azanyl-6-[(2,6-dichlorophenyl)methylamino]pyrazin-2-yl]phenyl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5 |
| SMILES | CACTVS | 3.352 | Nc1ncc(nc1NCc2c(Cl)cccc2Cl)c3ccc(cc3)C(=O)N4CCC[CH]4CN5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCCC4CN5CCCC5)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C27H30Cl2N6O/c28-22-6-3-7-23(29)21(22)15-32-26-25(30)31-16-24(33-26)18-8-10-19(11-9-18)27(36)35-14-4-5-20(35)17-34-12-1-2-13-34/h3,6-11,16,20H,1-2,4-5,12-15,17H2,(H2,30,31)(H,32,33)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | PVBCEWZVPUKFNT-HXUWFJFHSA-N |
