Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H23N5O2/c1-13(15-6-5-7-16(8-15)17-11-23-24-12-17)25-22-18-9-20(28-3)21(29-4)10-19(18)26-14(2)27-22/h5-13H,1-4H3,(H,23,24)(H,25,26,27)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | OYHDNGCDWWAYLR-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2nc(C)nc(N[C@H](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)c4c[nH]nc4)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)c4c[nH]nc4)OC)OC |