8OT
Summary
| Name: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine |
| Formula: | C20 H18 N4 S |
| Formal charge: | 0 |
| Formula weight: | 346.449 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4S/c21-15-8-9-17-18(13-15)23-19(14-5-2-1-3-6-14)24-20(17)22-11-10-16-7-4-12-25-16/h1-9,12-13H,10-11,21H2,(H,22,23,24) |
| InChIKey | InChI | 1.03 | OZXWSHPJYWULML-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2c(NCCc3sccc3)nc(nc2c1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | Nc1ccc2c(NCCc3sccc3)nc(nc2c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N |
