Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1 |
SMILES | CACTVS | 3.341 | Oc1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O |
InChI | InChI | 1.03 | InChI=1S/C18H21N5O2/c24-14-8-6-13(7-9-14)21-18-22-16-15(19-11-20-16)17(23-18)25-10-12-4-2-1-3-5-12/h6-9,11-12,24H,1-5,10H2,(H2,19,20,21,22,23) |
InChIKey | InChI | 1.03 | RFSDQDHHBKYQOD-UHFFFAOYSA-N |