Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1cc(OC)c(OC)cc1c4c(c2)c(nc3c(c(N)ccc34)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC |
SMILES | CACTVS | 3.341 | COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N |
InChI | InChI | 1.03 | InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23) |
InChIKey | InChI | 1.03 | NVINUNQBDNEMSY-UHFFFAOYSA-N |