Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N(c4nc(c1ccc(OC)nc1)ccc4N=C3NCCN2CCOCC2)CCOCCC |
InChI | InChI | 1.03 | InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27) |
InChIKey | InChI | 1.03 | KSAKYDGQTISGJC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCOCCN1C(=O)C(=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4 |
SMILES | CACTVS | 3.370 | CCCOCCN1C(=O)C(=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4 |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4 |