| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(c2nc(n(c2nc1)CCCC)Cc3cccc(OC)c3)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCn1c(Cc2cccc(OC)c2)nc3c(N)ncnc13 |
| SMILES | CACTVS | 3.341 | CCCCn1c(Cc2cccc(OC)c2)nc3c(N)ncnc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC |
| InChI | InChI | 1.03 | InChI=1S/C17H21N5O/c1-3-4-8-22-14(10-12-6-5-7-13(9-12)23-2)21-15-16(18)19-11-20-17(15)22/h5-7,9,11H,3-4,8,10H2,1-2H3,(H2,18,19,20) |
| InChIKey | InChI | 1.03 | BWLWUGBHOXIUBP-UHFFFAOYSA-N |
