Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC(N(C)C)C(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C24H30N6O/c1-6-31-19-10-9-16-11-18(8-7-17(16)12-19)22-21-23(25)26-14-27-24(21)30(28-22)13-20(15(2)3)29(4)5/h7-12,14-15,20H,6,13H2,1-5H3,(H2,25,26,27)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | UPGKXNICLSVZDA-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccc2cc(ccc2c1)c3nn(C[C@H](C(C)C)N(C)C)c4ncnc(N)c34 |
SMILES | CACTVS | 3.370 | CCOc1ccc2cc(ccc2c1)c3nn(C[CH](C(C)C)N(C)C)c4ncnc(N)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC(C(C)C)N(C)C)N |