Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c3cc5nc(NCCN1CCOCC1)nc5c(c3N=CN2)CCNCC4CCCCC4 |
InChI | InChI | 1.03 | InChI=1S/C24H35N7O2/c32-23-19-14-20-22(30-24(29-20)26-8-9-31-10-12-33-13-11-31)18(21(19)27-16-28-23)6-7-25-15-17-4-2-1-3-5-17/h14,16-17,25H,1-13,15H2,(H2,26,29,30)(H,27,28,32) |
InChIKey | InChI | 1.03 | OAKOZMGOTCCZPS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O=C1NC=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCN5CCOCC5)nc4cc12 |
SMILES | CACTVS | 3.370 | O=C1NC=Nc2c(CCNCC3CCCCC3)c4[nH]c(NCCN5CCOCC5)nc4cc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(c(c3c1nc([nH]3)NCCN4CCOCC4)CCNCC5CCCCC5)N=CNC2=O |