Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | MNDALSIIIRYSTC-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(C)nc(N[C@H](C)c3cccc(N)c3)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2nc(C)nc(N[CH](C)c3cccc(N)c3)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)N)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)N)OC)OC |