UO3
Summary
| Name: | 4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol |
| Formula: | C15 H21 N4 O S2 |
| Formal charge: | 0 |
| Formula weight: | 337.483 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21N4OS2/c1-2-3-4-5-9-22-13-17-14(20)19(15(21)18-13)11-12-7-6-8-16-10-12/h6-8,10H,2-5,9,11H2,1H3,(H2,17,18,20,21) |
| InChIKey | InChI | 1.06 | AAGCVGJIZNRQQT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1 |
| SMILES | CACTVS | 3.385 | CCCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O |
