YEL
Summary
| Name: | 5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile |
| Formula: | C19 H21 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 372.849 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-tert-butyl-2-chloro-4-{[(4S)-7-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl]methoxy}benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 5-~{tert}-butyl-2-chloranyl-4-[(7-methyl-8-oxidanylidene-5,6-dihydroimidazo[1,5-a]pyrazin-3-yl)methoxy]benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc2C(=O)N(C)CCn21 |
| InChI | InChI | 1.06 | InChI=1S/C19H21ClN4O2/c1-19(2,3)13-7-12(9-21)14(20)8-16(13)26-11-17-22-10-15-18(25)23(4)5-6-24(15)17/h7-8,10H,5-6,11H2,1-4H3 |
| InChIKey | InChI | 1.06 | ZDLQARWVZPMLEH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCn2c(COc3cc(Cl)c(cc3C(C)(C)C)C#N)ncc2C1=O |
| SMILES | CACTVS | 3.385 | CN1CCn2c(COc3cc(Cl)c(cc3C(C)(C)C)C#N)ncc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(cc1OCc2ncc3n2CCN(C3=O)C)Cl)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1cc(c(cc1OCc2ncc3n2CCN(C3=O)C)Cl)C#N |
