8OW
Summary
| Name: | ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine |
| Formula: | C21 H17 F N4 |
| Formal charge: | 0 |
| Formula weight: | 344.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26) |
| InChIKey | InChI | 1.03 | YRJQJSNYMBUYLI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N |
