種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c12sc(CCF)cc1c(ncn2)N3CCN(CC3)C=4SC(C)(C)CN=4 |
InChI | InChI | 1.03 | InChI=1S/C17H22FN5S2/c1-17(2)10-19-16(25-17)23-7-5-22(6-8-23)14-13-9-12(3-4-18)24-15(13)21-11-20-14/h9,11H,3-8,10H2,1-2H3 |
InChIKey | InChI | 1.03 | UOPVCDBELHDBLY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CCF)cc34 |
SMILES | CACTVS | 3.385 | CC1(C)CN=C(S1)N2CCN(CC2)c3ncnc4sc(CCF)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C |