Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N(c3cc(ncc3N=C2NCCN1CCOCC1)c4ccc(OC)nc4)CCOCCC |
InChI | InChI | 1.03 | InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-19(18-4-5-22(32-2)27-16-18)26-17-20(21)28-23(24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28) |
InChIKey | InChI | 1.03 | OFRWMWHKNKWEHT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4 |
SMILES | CACTVS | 3.370 | CCCOCCN1C(=O)C(=Nc2cnc(cc12)c3ccc(OC)nc3)NCCN4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC |