E66
Summary
| Name: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
| Formula: | C23 H33 N7 O |
| Formal charge: | 0 |
| Formula weight: | 423.554 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}2-[(4-~{tert}-butylphenyl)methyl]-~{N}7,~{N}7-dimethyl-5-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 |
| InChI | InChI | 1.03 | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) |
| InChIKey | InChI | 1.03 | RFOXHOSYULBELK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1cc(CN2CCOCC2)nc3nc(NCc4ccc(cc4)C(C)(C)C)nn13 |
| SMILES | CACTVS | 3.385 | CN(C)c1cc(CN2CCOCC2)nc3nc(NCc4ccc(cc4)C(C)(C)C)nn13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3nc(cc(n3n2)N(C)C)CN4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)CNc2nc3nc(cc(n3n2)N(C)C)CN4CCOCC4 |
