Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c21cnnc1cc(c(c2)c3nncc3NC(c4cnn5c4nccc5)=O)OC |
InChI | InChI | 1.03 | InChI=1S/C18H14N8O2/c1-28-15-6-13-10(7-20-24-13)5-11(15)16-14(9-21-25-16)23-18(27)12-8-22-26-4-2-3-19-17(12)26/h2-9H,1H3,(H,20,24)(H,21,25)(H,23,27) |
InChIKey | InChI | 1.03 | YENOZGNVRCRNCQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2[nH]ncc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES | CACTVS | 3.385 | COc1cc2[nH]ncc2cc1c3[nH]ncc3NC(=O)c4cnn5cccnc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2 |