Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(Oc1ccccc1)Cc2ccc(C(=[N@H])N)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1 |
SMILES | CACTVS | 3.370 | NC(=N)c1ccc(C[P](O)(=O)Oc2ccccc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)C[P@@](=O)(O)Oc2ccccc2)\N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)OP(=O)(Cc2ccc(cc2)C(=N)N)O |
InChI | InChI | 1.03 | InChI=1S/C14H15N2O3P/c15-14(16)12-8-6-11(7-9-12)10-20(17,18)19-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)(H,17,18) |
InChIKey | InChI | 1.03 | WWKGYQUWQUONHG-UHFFFAOYSA-N |