Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CCCCCCN1CC=NC1=[C@H]NO)N2CC=N\C2=C/NO |
InChI | InChI | 1.03 | InChI=1S/C15H26N6O2/c22-18-12-14-16-6-10-20(14)8-4-2-1-3-5-9-21-11-7-17-15(21)13-19-23/h6-7,12-13,18-19,22-23H,1-5,8-11H2/b14-12+,15-13+ |
InChIKey | InChI | 1.03 | XUMCQYQLNOCDFI-QUMQEAAQSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ON\C=C1/N=CCN1CCCCCCCN\2CC=NC\2=C\NO |
SMILES | CACTVS | 3.385 | ONC=C1N=CCN1CCCCCCCN2CC=NC2=CNO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1N(/C(=C/NO)/N=C1)CCCCCCCN2/C(=C/NO)/N=CC2 |
SMILES | OpenEye OEToolkits | 1.9.2 | C1C=NC(=CNO)N1CCCCCCCN2CC=NC2=CNO |