Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(#CC(c1cc(OC)c(OC)c(OC)c1)CC)c2c(nc(nc2C)N)N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@@H](C#Cc1c(C)nc(N)nc1N)c2cc(OC)c(OC)c(OC)c2 |
SMILES | CACTVS | 3.370 | CC[CH](C#Cc1c(C)nc(N)nc1N)c2cc(OC)c(OC)c(OC)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C19H24N4O3/c1-6-12(7-8-14-11(2)22-19(21)23-18(14)20)13-9-15(24-3)17(26-5)16(10-13)25-4/h9-10,12H,6H2,1-5H3,(H4,20,21,22,23)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | LMNOGGWYIMBHHK-LBPRGKRZSA-N |