H1K
Summary
| Name: | 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea |
| Formula: | C13 H13 Cl N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 308.72 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-chloro-2,4-dimethoxyphenyl)-3-pyrazin-2-ylurea |
| OpenEye OEToolkits | 1.7.6 | 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-pyrazin-2-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nccnc1)Nc2cc(Cl)c(OC)cc2OC |
| InChI | InChI | 1.03 | InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)9(5-8(10)14)17-13(19)18-12-7-15-3-4-16-12/h3-7H,1-2H3,(H2,16,17,18,19) |
| InChIKey | InChI | 1.03 | YHZULYLGPVGRKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl |
| SMILES | CACTVS | 3.370 | COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(c(cc1NC(=O)Nc2cnccn2)Cl)OC |
