Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H22N6O/c24-23(25)19-9-8-18(11-21(19)30-15-16-5-4-10-26-12-16)27-14-22-28-13-20(29-22)17-6-2-1-3-7-17/h1-13,27H,14-15H2,(H3,24,25)(H,28,29) |
InChIKey | InChI | 1.03 | ZDLCAMFQMDNCSU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4 |
SMILES | CACTVS | 3.385 | NC(=N)c1ccc(NCc2[nH]c(cn2)c3ccccc3)cc1OCc4cccnc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)\N |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cnc([nH]2)CNc3ccc(c(c3)OCc4cccnc4)C(=N)N |