TSW
Summary
| Name: | 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide |
| Formula: | C19 H16 N6 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 424.499 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26) |
| InChIKey | InChI | 1.03 | ANHMCIKPOJARRV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CSC1=Nc2nccnc2C(=O)N1CCc3ccccc3)Nc4sccn4 |
| SMILES | CACTVS | 3.385 | O=C(CSC1=Nc2nccnc2C(=O)N1CCc3ccccc3)Nc4sccn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)c3c(nccn3)N=C2SCC(=O)Nc4nccs4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCN2C(=O)c3c(nccn3)N=C2SCC(=O)Nc4nccs4 |
