Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O4c2ccc(c1cncnc1)cc2C3(N=C(OC3)N)c5c4ccc(OCC(C)(C)C)c5 |
InChI | InChI | 1.03 | InChI=1S/C24H24N4O3/c1-23(2,3)12-29-17-5-7-21-19(9-17)24(13-30-22(25)28-24)18-8-15(4-6-20(18)31-21)16-10-26-14-27-11-16/h4-11,14H,12-13H2,1-3H3,(H2,25,28)/t24-/m0/s1 |
InChIKey | InChI | 1.03 | CHZHWZAKWGFQNL-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]4(COC(=N4)N)c2c1)c5cncnc5 |
SMILES | CACTVS | 3.385 | CC(C)(C)COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cncnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5 |