Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c21nc(nc(c1cc(c(c2)OC)OC)NCCCNC(=O)CC)N3CCCC3 |
InChI | InChI | 1.03 | InChI=1S/C20H29N5O3/c1-4-18(26)21-8-7-9-22-19-14-12-16(27-2)17(28-3)13-15(14)23-20(24-19)25-10-5-6-11-25/h12-13H,4-11H2,1-3H3,(H,21,26)(H,22,23,24) |
InChIKey | InChI | 1.03 | GDDIMJLTIBWEHU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NCCCNc1nc(nc2cc(OC)c(OC)cc12)N3CCCC3 |
SMILES | CACTVS | 3.385 | CCC(=O)NCCCNc1nc(nc2cc(OC)c(OC)cc12)N3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)NCCCNc1c2cc(c(cc2nc(n1)N3CCCC3)OC)OC |