5XL
Summary
| Name: | 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
| Formula: | C14 H14 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 275.733 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14ClN3O/c1-17(2)8-9-6-7-18-11-5-3-4-10(15)12(11)14(19)16-13(9)18/h3-7H,8H2,1-2H3,(H,16,19) |
| InChIKey | InChI | 1.03 | FSTYDISPXAAJMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccn2c1NC(=O)c3c(Cl)cccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl |
