MFE
Summary
| Name: | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
| Formula: | C15 H12 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 269.729 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12ClN3/c16-12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10H,9H2,(H,17,18,19) |
| InChIKey | InChI | 1.03 | BTRLSAYDVSPYCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(CNc2ncnc3ccccc23)cc1 |
| SMILES | CACTVS | 3.385 | Clc1ccc(CNc2ncnc3ccccc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(ncn2)NCc3ccc(cc3)Cl |
