Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1 |
InChIKey | InChI | 1.03 | PETJVBHONPBYQW-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[C@H]4COC(C)(C)C4 |
SMILES | CACTVS | 3.385 | COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(C[C@H](CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC(CO1)c2c(cn3c(n2)c(cn3)c4ccnc(c4)OC)OC)C |