6A5
Summary
| Name: | Sa-(+)-(6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl)(morpholino)methanone |
| Synonyms: | 1-[5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-6-yl]methanamine 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidin-4-ium-1-ide |
| Formula: | C19 H19 Cl2 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 420.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-2-yl](morpholin-4-yl)methanone |
| OpenEye OEToolkits | 1.7.0 | [6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-imidazo[1,2-a]pyrimidin-2-yl]-morpholin-4-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2nc3nc(c(c(c1ccc(Cl)cc1Cl)n3c2)CN)C)N4CCOCC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc2nc(cn2c(c1CN)c3ccc(Cl)cc3Cl)C(=O)N4CCOCC4 |
| SMILES | CACTVS | 3.370 | Cc1nc2nc(cn2c(c1CN)c3ccc(Cl)cc3Cl)C(=O)N4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN |
| InChI | InChI | 1.03 | InChI=1S/C19H19Cl2N5O2/c1-11-14(9-22)17(13-3-2-12(20)8-15(13)21)26-10-16(24-19(26)23-11)18(27)25-4-6-28-7-5-25/h2-3,8,10H,4-7,9,22H2,1H3 |
| InChIKey | InChI | 1.03 | MNRQGIJBOGTUFQ-UHFFFAOYSA-N |
