Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(cc2c4ccc(Oc3ccccc3)cc4)C5CCCC5)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCC5 |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(cc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5 |
InChI | InChI | 1.03 | InChI=1S/C23H22N4O/c24-22-21-20(14-27(17-6-4-5-7-17)23(21)26-15-25-22)16-10-12-19(13-11-16)28-18-8-2-1-3-9-18/h1-3,8-15,17H,4-7H2,(H2,24,25,26) |
InChIKey | InChI | 1.03 | FMETVQKSDIOGPX-UHFFFAOYSA-N |