V6H
Summary
| Name: | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
| Formula: | C24 H30 F2 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 472.531 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H30F2N6O2/c25-17-8-9-20(26)16(13-17)14-28-24-29-15-19(22(31-24)30-18-5-1-2-6-18)23(34)27-10-4-12-32-11-3-7-21(32)33/h8-9,13,15,18H,1-7,10-12,14H2,(H,27,34)(H2,28,29,30,31) |
| InChIKey | InChI | 1.03 | CGCYACANDHXNLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(F)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)c1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(F)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC4CCCC4)n2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1F)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O)F |
