Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | C(#CC(c2cc(c1cc(cc(c1)C)C)cc(OC)c2)C)c3c(nc(nc3C)N)N |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(cc(c1)c2cc(C)cc(C)c2)[C@@H](C)C#Cc3c(C)nc(N)nc3N |
SMILES | CACTVS | 3.341 | COc1cc(cc(c1)c2cc(C)cc(C)c2)[CH](C)C#Cc3c(C)nc(N)nc3N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(cc(c1)c2cc(cc(c2)OC)C(C)C#Cc3c(nc(nc3N)N)C)C |
InChI | InChI | 1.03 | InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | ATFDKOLABYIYCC-INIZCTEOSA-N |