JP6
Summary
| Name: | 2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
| Formula: | C15 H16 Cl N5 O |
| Formal charge: | 0 |
| Formula weight: | 317.773 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H16ClN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,20) |
| InChIKey | InChI | 1.06 | ANNQZQCITGVRKA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC1=Nc2nc(NCc3ccc(Cl)cc3)nn2C(=O)C1 |
| SMILES | CACTVS | 3.385 | CCCC1=Nc2nc(NCc3ccc(Cl)cc3)nn2C(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC1=Nc2nc(nn2C(=O)C1)NCc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC1=Nc2nc(nn2C(=O)C1)NCc3ccc(cc3)Cl |
