Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1CCOC1)c1nc(cnc1OCC1=NC(CN1C)c1ccccc1)C1CC1 |
InChI | InChI | 1.03 | InChI=1S/C23H27N5O3/c1-28-12-19(15-5-3-2-4-6-15)26-20(28)14-31-23-21(22(29)25-17-9-10-30-13-17)27-18(11-24-23)16-7-8-16/h2-6,11,16-17,19H,7-10,12-14H2,1H3,(H,25,29)/t17?,19-/m1/s1 |
InChIKey | InChI | 1.03 | MLECUKPIXKDSAC-WHCXFUJUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@@H](N=C1COc2ncc(nc2C(=O)N[C@@H]3CCOC3)C4CC4)c5ccccc5 |
SMILES | CACTVS | 3.385 | CN1C[CH](N=C1COc2ncc(nc2C(=O)N[CH]3CCOC3)C4CC4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1CC(N=C1COc2c(nc(cn2)C3CC3)C(=O)N[C@H]4CCOC4)c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(N=C1COc2c(nc(cn2)C3CC3)C(=O)NC4CCOC4)c5ccccc5 |