Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(C=CN1CCc1nc(oc1C)c1ccccc1)c1ccnn1c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C24H21N5O2/c1-18-21(26-23(31-18)19-8-4-2-5-9-19)13-15-27-16-17-28(24(27)30)22-12-14-25-29(22)20-10-6-3-7-11-20/h2-12,14,16-17H,13,15H2,1H3 |
InChIKey | InChI | 1.03 | NFOFESUVPDPSTC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5 |
SMILES | CACTVS | 3.385 | Cc1oc(nc1CCN2C=CN(C2=O)c3ccnn3c4ccccc4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(nc(o1)c2ccccc2)CCN3C=CN(C3=O)c4ccnn4c5ccccc5 |