Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O4c5ccc(Oc3nc(Oc2ccc(n1ccnc1)cc2)ncc3)cc5OC4 |
SMILES_CANONICAL | CACTVS | 3.341 | C1Oc2ccc(Oc3ccnc(Oc4ccc(cc4)n5ccnc5)n3)cc2O1 |
SMILES | CACTVS | 3.341 | C1Oc2ccc(Oc3ccnc(Oc4ccc(cc4)n5ccnc5)n3)cc2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5 |
InChI | InChI | 1.03 | InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-10-9-21-12-24)28-20-22-8-7-19(23-20)27-16-5-6-17-18(11-16)26-13-25-17/h1-12H,13H2 |
InChIKey | InChI | 1.03 | XPXGYINSBORUMM-UHFFFAOYSA-N |