Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN |
SMILES_CANONICAL | CACTVS | 3.352 | NC[C@H]1CN(CCO1)c2c3cn[nH]c3ncc2c4ccccc4 |
SMILES | CACTVS | 3.352 | NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3 |
SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN)cn[nH]3 |
InChI | InChI | 1.03 | InChI=1S/C17H19N5O/c18-8-13-11-22(6-7-23-13)16-14(12-4-2-1-3-5-12)9-19-17-15(16)10-20-21-17/h1-5,9-10,13H,6-8,11,18H2,(H,19,20,21)/t13-/m0/s1 |
InChIKey | InChI | 1.03 | YBRZCAKSBYWZTC-ZDUSSCGKSA-N |