Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c4n(CC)c1c(c3c(c(n1)Nc2sc(c(n2)C)C)ncn3C)c4)(=O)N(C5CC5)C6CC6 |
InChI | InChI | 1.03 | InChI=1S/C23H27N7OS/c1-5-29-17(22(31)30(14-6-7-14)15-8-9-15)10-16-19-18(24-11-28(19)4)20(26-21(16)29)27-23-25-12(2)13(3)32-23/h10-11,14-15H,5-9H2,1-4H3,(H,25,26,27) |
InChIKey | InChI | 1.03 | IHSTUTBJVPZZHZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(cc2c1nc(Nc3sc(C)c(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6 |
SMILES | CACTVS | 3.385 | CCn1c(cc2c1nc(Nc3sc(C)c(C)n3)c4ncn(C)c24)C(=O)N(C5CC5)C6CC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6 |
SMILES | OpenEye OEToolkits | 1.9.2 | CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6 |