Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1=C(SC(C)(C)C1)N4CCN(c3ncnc2sc(cc23)CCC)CC4 |
InChI | InChI | 1.03 | InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3 |
InChIKey | InChI | 1.03 | SRQYLNYQAPCPIR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCc1sc2ncnc(N3CCN(CC3)C4=NCC(C)(C)S4)c2c1 |
SMILES | CACTVS | 3.370 | CCCc1sc2ncnc(N3CCN(CC3)C4=NCC(C)(C)S4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(S4)(C)C |