種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n2c(c1cccc(OC)c1)c4c(cc2Nc3nnc(c3)C)cccc4 |
InChI | InChI | 1.03 | InChI=1S/C20H18N4O/c1-13-10-19(24-23-13)21-18-12-14-6-3-4-9-17(14)20(22-18)15-7-5-8-16(11-15)25-2/h3-12H,1-2H3,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | IREPAVPIORVYOI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(c1)c2nc(Nc3cc(C)[nH]n3)cc4ccccc24 |
SMILES | CACTVS | 3.370 | COc1cccc(c1)c2nc(Nc3cc(C)[nH]n3)cc4ccccc24 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(n[nH]1)Nc2cc3ccccc3c(n2)c4cccc(c4)OC |