Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | PUGXENIKUPHCAF-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccc3)c4cc(nc(c4)N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2ccc(nc2n1CC(C)Oc3ccccc3)c4cc(nc(c4)N)N |