SDW
Summary
| Name: | 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine |
| Formula: | C17 H14 I N3 |
| Formal charge: | 0 |
| Formula weight: | 387.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H14IN3/c18-12-7-9-13(10-8-12)19-17-14-3-1-2-4-15(14)20-16(21-17)11-5-6-11/h1-4,7-11H,5-6H2,(H,19,20,21) |
| InChIKey | InChI | 1.03 | JENOGSHDNMPWIS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1 |
| SMILES | CACTVS | 3.385 | Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nc(n2)C3CC3)Nc4ccc(cc4)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(nc(n2)C3CC3)Nc4ccc(cc4)I |
