Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(OC)cc2ncc(n12)c3nc(ccc3)NC4CNCC4)c5cn(C)nc5 |
InChI | InChI | 1.03 | InChI=1S/C21H23N7O/c1-27-12-14(9-24-27)16-13-28-18(11-23-21(28)8-19(16)29-2)17-4-3-5-20(26-17)25-15-6-7-22-10-15/h3-5,8-9,11-13,15,22H,6-7,10H2,1-2H3,(H,25,26)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | IALDYVNFZAPNJV-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncc(n2cc1c3cnn(C)c3)c4cccc(N[C@@H]5CCNC5)n4 |
SMILES | CACTVS | 3.385 | COc1cc2ncc(n2cc1c3cnn(C)c3)c4cccc(N[CH]5CCNC5)n4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)NC5CCNC5 |