Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2ncn(c2nc1)C(CCCCCC)C(O)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |
SMILES | CACTVS | 3.341 | CCCCCC[CH]([CH](C)O)n1cnc2c(N)ncnc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCC(C(C)O)n1cnc2c1ncnc2N |
InChI | InChI | 1.03 | InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1 |
InChIKey | InChI | 1.03 | IOSAAWHGJUZBOG-WDEREUQCSA-N |