5XK
Summary
| Name: | 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
| Formula: | C17 H19 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 302.799 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-9,11H,3-4,10H2,1-2H3,(H,19,21) |
| InChIKey | InChI | 1.03 | JCTQQDJVUAOWPC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 |
| SMILES | CACTVS | 3.385 | CCC(CC)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl |
