Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O |
InChI | InChI | 1.03 | InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16) |
InChIKey | InChI | 1.03 | XJMYIJPPDSZOPN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Cc1sc(N)nc1c2oc(cc2)[P](O)(O)=O |
SMILES | CACTVS | 3.385 | CC(C)Cc1sc(N)nc1c2oc(cc2)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1c(nc(s1)N)c2ccc(o2)P(=O)(O)O |