Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cccnc1)Nc3nc2c(OC)c(OC)ccc2c4[n+]3ccn4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC |
SMILES | CACTVS | 3.341 | COc1ccc2c3[nH]cc[n+]3c(NC(=O)c4cccnc4)nc2c1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4 |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4 |
InChI | InChI | 1.03 | InChI=1S/C18H15N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-10H,1-2H3,(H,20,21,22,24)/p+1 |
InChIKey | InChI | 1.03 | GLZPAFCYKOIQQZ-UHFFFAOYSA-O |