Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1nc2ccccc2nc1CCc1nc(cn1c1ccccc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C26H22N4/c1-19-22(28-24-15-9-8-14-23(24)27-19)16-17-26-29-25(20-10-4-2-5-11-20)18-30(26)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3 |
InChIKey | InChI | 1.03 | SFTYFZCRCKRNOL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc2ccccc2nc1CCc3nc(cn3c4ccccc4)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1nc2ccccc2nc1CCc3nc(cn3c4ccccc4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(cn3c4ccccc4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)CCc3nc(cn3c4ccccc4)c5ccccc5 |