7NQ
Summary
Name: | ~{N}-(4-ethoxyquinazolin-2-yl)propanamide |
Formula: | C13 H15 N3 O2 |
Formal charge: | 0 |
Formula weight: | 245.277 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | ~{N}-(4-ethoxyquinazolin-2-yl)propanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c1-3-11(17)15-13-14-10-8-6-5-7-9(10)12(16-13)18-4-2/h5-8H,3-4H2,1-2H3,(H,14,15,16,17) |
InChIKey | InChI | 1.03 | BLXSSFGQMIYBHD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1nc(NC(=O)CC)nc2ccccc12 |
SMILES | CACTVS | 3.385 | CCOc1nc(NC(=O)CC)nc2ccccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1nc2ccccc2c(n1)OCC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1nc2ccccc2c(n1)OCC |