A1ASL
Summary
| Name: | (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
| Formula: | C14 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 253.302 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-N-(2,4-dimethylphenyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2,4-dimethylphenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15N5/c1-9-4-5-12(10(2)6-9)17-13-7-11(3)16-14-18-15-8-19(13)14/h4-8,17H,1-3H3 |
| InChIKey | InChI | 1.06 | GVIZORPSBMMNBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(Nc2cc(C)nc3nncn23)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C)Nc2cc(nc3n2cnn3)C |
