Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN1CC(N=C1COc1nc2ccccc2nc1C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H20N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | PHLMYYFMVZEYAM-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@H](N=C1COc2nc3ccccc3nc2C)c4ccccc4 |
SMILES | CACTVS | 3.385 | CN1C[CH](N=C1COc2nc3ccccc3nc2C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)OCC3=NC(CN3C)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc2ccccc2n1)OCC3=NC(CN3C)c4ccccc4 |