Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=P(c1ccc(cc1)Nc5ncnc2c5ncn2\C=C\c3c(ccc4c3cnn4)C)(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | Cc1ccc2[nH]ncc2c1\C=C\n3cnc4c(Nc5ccc(cc5)[P](C)(C)=O)ncnc34 |
SMILES | CACTVS | 3.352 | Cc1ccc2[nH]ncc2c1C=Cn3cnc4c(Nc5ccc(cc5)[P](C)(C)=O)ncnc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1ccc2c(c1C=Cn3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2 |
InChI | InChI | 1.03 | InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+ |
InChIKey | InChI | 1.03 | UNPSONVHRMUXFE-ZHACJKMWSA-N |