IJK
Summary
| Name: | (8S)-6,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine |
| Formula: | C19 H29 N9 |
| Formal charge: | 0 |
| Formula weight: | 383.494 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8S)-6,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-N-(propan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 6,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-~{N}-propan-2-yl-imidazo[2,1-f][1,2,4]triazin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1nc(nc1CCc1nc(NC(C)C)c2nc(C)c(C)n2n1)N1CCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C19H29N9/c1-12(2)20-17-18-21-13(3)14(4)28(18)24-15(22-17)8-9-16-23-19(25-26(16)5)27-10-6-7-11-27/h12H,6-11H2,1-5H3,(H,20,22,24) |
| InChIKey | InChI | 1.03 | QSNCXYJSYCNVBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1nc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14 |
| SMILES | CACTVS | 3.385 | CC(C)Nc1nc(CCc2nc(nn2C)N3CCCC3)nn4c(C)c(C)nc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)c(nc(n2)CCc3nc(nn3C)N4CCCC4)NC(C)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)c(nc(n2)CCc3nc(nn3C)N4CCCC4)NC(C)C)C |
