Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(cn1)Nc1ncc(C)c(n1)c1cn(nc1)C(CC#N)C1CCCC1 |
InChI | InChI | 1.06 | InChI=1S/C20H24N8/c1-14-9-22-20(25-17-11-23-27(2)13-17)26-19(14)16-10-24-28(12-16)18(7-8-21)15-5-3-4-6-15/h9-13,15,18H,3-7H2,1-2H3,(H,22,25,26)/t18-/m1/s1 |
InChIKey | InChI | 1.06 | FEQOESZUGZISHK-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Nc2ncc(C)c(n2)c3cnn(c3)[C@H](CC#N)C4CCCC4)cn1 |
SMILES | CACTVS | 3.385 | Cn1cc(Nc2ncc(C)c(n2)c3cnn(c3)[CH](CC#N)C4CCCC4)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1c2cnn(c2)[C@H](CC#N)C3CCCC3)Nc4cnn(c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(nc1c2cnn(c2)C(CC#N)C3CCCC3)Nc4cnn(c4)C |