Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | n1ccc(nc1N)Nc4cc(c3oc2ccccc2c3)c5c(c4)cnn5 |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1nccc(Nc2cc3cn[nH]c3c(c2)c4oc5ccccc5c4)n1 |
SMILES | CACTVS | 3.352 | Nc1nccc(Nc2cc3cn[nH]c3c(c2)c4oc5ccccc5c4)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cc(o2)c3cc(cc4c3[nH]nc4)Nc5ccnc(n5)N |
InChI | InChI | 1.03 | InChI=1S/C19H14N6O/c20-19-21-6-5-17(24-19)23-13-7-12-10-22-25-18(12)14(9-13)16-8-11-3-1-2-4-15(11)26-16/h1-10H,(H,22,25)(H3,20,21,23,24) |
InChIKey | InChI | 1.03 | IQDDLNJTLVXFQA-UHFFFAOYSA-N |