VZM
N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
Created: | 2020-09-24 |
Last modified: | 2020-11-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea |
Systematic Name (OpenEye OEToolkits) | 1-(6-methoxypyridin-3-yl)-3-thiophen-2-yl-urea |
Formula | C11 H11 N3 O2 S |
Molecular Weight | 249.289 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1cccs1)C(=O)Nc2cnc(cc2)OC |
SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)Nc2sccc2)cn1 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)NC(=O)Nc2cccs2 |
Canonical SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)Nc2sccc2)cn1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cn1)NC(=O)Nc2cccs2 |
InChI | InChI | 1.03 | InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15) |
InChIKey | InChI | 1.03 | QQTNSKDCQAMODS-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2815595 |
ChEMBL | CHEMBL1580797 |