Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23 |
SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23 |
SMILES | CACTVS | 3.352 | NC(=O)c1ccc(OC[P](O)(O)=O)c2c1Cc3scnc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18) |
InChIKey | InChI | 1.03 | APAVSBDDVLUPIF-UHFFFAOYSA-N |