| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Ic3cc4OCOc4cc3Sc1nc2c(ncnc2n1CCCNC(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c(N)ncnc14 |
| SMILES | CACTVS | 3.341 | CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc4c(N)ncnc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 |
| InChI | InChI | 1.03 | InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) |
| InChIKey | InChI | 1.03 | SUPVGFZUWFMATN-UHFFFAOYSA-N |
