A1ER4
Summary
| Name: | 2-azanyl-1-[6-[2-azanyl-5-(3-methylpyridin-4-yl)-1H-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methyl-propan-1-one |
| Synonyms: | SMT-738 |
| Formula: | C21 H24 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 392.454 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-1-[6-[2-azanyl-5-(3-methylpyridin-4-yl)-1~{H}-imidazol-4-yl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methyl-propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N6O2/c1-12-11-24-7-6-14(12)18-17(25-20(22)26-18)13-4-5-16-15(10-13)27(8-9-29-16)19(28)21(2,3)23/h4-7,10-11H,8-9,23H2,1-3H3,(H3,22,25,26) |
| InChIKey | InChI | 1.06 | JPOVQSBUKRMDME-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cnccc1c2[nH]c(N)nc2c3ccc4OCCN(C(=O)C(C)(C)N)c4c3 |
| SMILES | CACTVS | 3.385 | Cc1cnccc1c2[nH]c(N)nc2c3ccc4OCCN(C(=O)C(C)(C)N)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1c2c(nc([nH]2)N)c3ccc4c(c3)N(CCO4)C(=O)C(C)(C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnccc1c2c(nc([nH]2)N)c3ccc4c(c3)N(CCO4)C(=O)C(C)(C)N |
