| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N=C(/N)c2cc1c(cc(nc1cc2)C)Nc3cccc(c3)OC |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O/c1-11-8-17(22-13-4-3-5-14(10-13)23-2)15-9-12(18(19)20)6-7-16(15)21-11/h3-10H,1-2H3,(H3,19,20)(H,21,22) |
| InChIKey | InChI | 1.03 | FPVZIQCHGNLJIP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Nc2cc(C)nc3ccc(cc23)C(N)=N)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(Nc2cc(C)nc3ccc(cc23)C(N)=N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1ccc2c(c1)c(cc(n2)C)Nc3cccc(c3)OC)/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c2cc(ccc2n1)C(=N)N)Nc3cccc(c3)OC |
