Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC4CCC(n3c(nc2cnc1nccc1c23)C(O)C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C17H19N5O/c1-10(23)17-21-14-9-20-16-13(6-7-19-16)15(14)22(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,23H,2-5H2,1H3,(H,19,20)/t10-,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | ANDWOIMHOOWCLK-IJLUTSLNSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]4CC[C@@H](CC4)C#N |
SMILES | CACTVS | 3.370 | C[CH](O)c1nc2cnc3[nH]ccc3c2n1[CH]4CC[CH](CC4)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O |