Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1 |
SMILES | CACTVS | 3.352 | Nc1sc2Cc3cccc(OC[P](O)(O)=O)c3c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2 |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2 |
InChI | InChI | 1.03 | InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16) |
InChIKey | InChI | 1.03 | UVWYMQWTZQHZHH-UHFFFAOYSA-N |