Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2c(nc(nc2N1CCN(CCO)CC1)c3ncccc3)C |
InChI | InChI | 1.03 | InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3 |
InChIKey | InChI | 1.03 | NLGYGVCRRXIJRR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)c3ccccn3 |
SMILES | CACTVS | 3.370 | Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)c3ccccn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl |