Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OCCCn1nnc(c1)CN(Cc2nnn(c2)CCCO)Cc3nnn(c3)CCCO |
InChI | InChI | 1.03 | InChI=1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2 |
InChIKey | InChI | 1.03 | VAKXPQHQQNOUEZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc3cn(CCCO)nn3)nn1 |
SMILES | CACTVS | 3.370 | OCCCn1cc(CN(Cc2cn(CCCO)nn2)Cc3cn(CCCO)nn3)nn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO |
SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nnn1CCCO)CN(Cc2cn(nn2)CCCO)Cc3cn(nn3)CCCO |