Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | n1nc4ccc(nn4c1CNc2c3ncc(OC)cc3ncc2)c5ccccc5 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1cnc2c(NCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1 |
SMILES | CACTVS | 3.352 | COc1cnc2c(NCc3nnc4ccc(nn34)c5ccccc5)ccnc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1 |
InChI | InChI | 1.03 | InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | GZLYPLRRKZCYLV-UHFFFAOYSA-N |