QAQ
Summary
| Name: | [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile |
| Synonyms: | 2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile |
| Formula: | C18 H14 N8 O |
| Formal charge: | 0 |
| Formula weight: | 358.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile |
| OpenEye OEToolkits | 1.7.0 | 2-[[4-[2-[(3-hydroxyphenyl)amino]benzimidazol-1-yl]-1,3,5-triazin-2-yl]amino]ethanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(Nc2nc3ccccc3n2c4ncnc(NCC#N)n4)c1 |
| SMILES | CACTVS | 3.370 | Oc1cccc(Nc2nc3ccccc3n2c4ncnc(NCC#N)n4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)nc(n2c3ncnc(n3)NCC#N)Nc4cccc(c4)O |
| InChI | InChI | 1.03 | InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25) |
| InChIKey | InChI | 1.03 | FEBJYEFFVIDUNF-UHFFFAOYSA-N |
