Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5 |
SMILES_CANONICAL | CACTVS | 3.341 | C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23 |
SMILES | CACTVS | 3.341 | C1CN(CCN1)CCNc2ncnc3oc(c4ccccc4)c(c5ccccc5)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCN5CCNCC5 |
InChI | InChI | 1.03 | InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28) |
InChIKey | InChI | 1.03 | PTILEOLOGGMFCS-UHFFFAOYSA-N |