| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c12n(CC)c(c(c1c(N)nc(n2)N)C)Sc3cc(ccc3)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5OS/c1-4-21-14-12(13(17)19-16(18)20-14)9(2)15(21)23-11-7-5-6-10(8-11)22-3/h5-8H,4H2,1-3H3,(H4,17,18,19,20) |
| InChIKey | InChI | 1.03 | ULDSMDKWSKBCEI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(Sc2cccc(OC)c2)c(C)c3c(N)nc(N)nc13 |
| SMILES | CACTVS | 3.385 | CCn1c(Sc2cccc(OC)c2)c(C)c3c(N)nc(N)nc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCn1c2c(c(c1Sc3cccc(c3)OC)C)c(nc(n2)N)N |
