種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)C(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | MJOCJDMQRCJQJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34 |
SMILES | CACTVS | 3.370 | CCOc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N |