LDS
Summary
Name: | N-(4-ethoxyphenyl)pyrazine-2-carboxamide |
Formula: | C13 H13 N3 O2 |
Formal charge: | 0 |
Formula weight: | 243.261 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(4-ethoxyphenyl)pyrazine-2-carboxamide |
OpenEye OEToolkits | 2.0.6 | ~{N}-(4-ethoxyphenyl)pyrazine-2-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2ccnc(C(Nc1ccc(cc1)OCC)=O)c2 |
InChI | InChI | 1.03 | InChI=1S/C13H13N3O2/c1-2-18-11-5-3-10(4-6-11)16-13(17)12-9-14-7-8-15-12/h3-9H,2H2,1H3,(H,16,17) |
InChIKey | InChI | 1.03 | QLRHMFFHGZFFID-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(NC(=O)c2cnccn2)cc1 |
SMILES | CACTVS | 3.385 | CCOc1ccc(NC(=O)c2cnccn2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1)NC(=O)c2cnccn2 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1ccc(cc1)NC(=O)c2cnccn2 |