9O2
Summary
| Name: | ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide |
| Formula: | C25 H25 N5 O |
| Formal charge: | 0 |
| Formula weight: | 411.499 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H25N5O/c1-2-23(31)28-20-10-6-9-18(15-20)24-29-22-16-19(26)11-12-21(22)25(30-24)27-14-13-17-7-4-3-5-8-17/h3-12,15-16H,2,13-14,26H2,1H3,(H,28,31)(H,27,29,30) |
| InChIKey | InChI | 1.03 | VKNJKOQEMPCERA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cccc(c1)c2nc(NCCc3ccccc3)c4ccc(N)cc4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1cccc(c1)c2nc3cc(ccc3c(n2)NCCc4ccccc4)N |
