ULR
Summary
| Name: | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide |
| Synonyms: | SMN-CY |
| Formula: | C20 H23 F N6 O |
| Formal charge: | 0 |
| Formula weight: | 382.435 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H23FN6O/c1-3-14-11-26(7-6-22-14)15-4-5-16(17(21)8-15)20(28)25-18-12-27-10-13(2)24-19(27)9-23-18/h4-5,8-10,12,14,22H,3,6-7,11H2,1-2H3,(H,25,28)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | FWJHZBXJJJTEFO-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3 |
| SMILES | CACTVS | 3.385 | CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)nc4cn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H]1CN(CCN1)c2ccc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1CN(CCN1)c2ccc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C |
