5SK
Summary
| Name: | ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
| Formula: | C14 H17 N5 |
| Formal charge: | 0 |
| Formula weight: | 255.318 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H17N5/c1-4-9(2)15-13-14-18-17-10(3)19(14)12-8-6-5-7-11(12)16-13/h5-9H,4H2,1-3H3,(H,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | NPOOPJOEQAWGNZ-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)Nc1nc2ccccc2n3c(C)nnc13 |
| SMILES | CACTVS | 3.385 | CC[CH](C)Nc1nc2ccccc2n3c(C)nnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC[C@@H](C)Nc1c2nnc(n2c3ccccc3n1)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(C)Nc1c2nnc(n2c3ccccc3n1)C |
