Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(C(C)Oc4ccc3c1n(cc(n1)c2n(C(C)C)ncn2)CCOc3c4)N |
InChI | InChI | 1.03 | InChI=1S/C19H22N6O3/c1-11(2)25-19(21-10-22-25)15-9-24-6-7-27-16-8-13(28-12(3)17(20)26)4-5-14(16)18(24)23-15/h4-5,8-12H,6-7H2,1-3H3,(H2,20,26)/t12-/m0/s1 |
InChIKey | InChI | 1.03 | SIKYDKLGPWRPMZ-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1ncnc1c2cn3CCOc4cc(O[C@@H](C)C(N)=O)ccc4c3n2 |
SMILES | CACTVS | 3.385 | CC(C)n1ncnc1c2cn3CCOc4cc(O[CH](C)C(N)=O)ccc4c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)n1c(ncn1)c2cn3c(n2)-c4ccc(cc4OCC3)OC(C)C(=O)N |