Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)c3nc2ccc(cc2n3)c4nc5c(n4)cc(cc5)C6NCCN6 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6 |
SMILES | CACTVS | 3.341 | Oc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)C6NCCN6)O |
InChI | InChI | 1.03 | InChI=1S/C23H20N6O/c30-16-5-1-13(2-6-16)22-26-17-8-4-15(12-20(17)28-22)23-27-18-7-3-14(11-19(18)29-23)21-24-9-10-25-21/h1-8,11-12,21,24-25,30H,9-10H2,(H,26,28)(H,27,29) |
InChIKey | InChI | 1.03 | SOARWAXWPUGSQA-UHFFFAOYSA-N |