Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c3c(sc1NC(=O)Cn2nc(c(c2)CNC)C(C)(C)C)CCCC3)N |
SMILES_CANONICAL | CACTVS | 3.370 | CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C |
SMILES | CACTVS | 3.370 | CNCc1cn(CC(=O)Nc2sc3CCCCc3c2C(N)=O)nc1C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC |
InChI | InChI | 1.03 | InChI=1S/C20H29N5O2S/c1-20(2,3)17-12(9-22-4)10-25(24-17)11-15(26)23-19-16(18(21)27)13-7-5-6-8-14(13)28-19/h10,22H,5-9,11H2,1-4H3,(H2,21,27)(H,23,26) |
InChIKey | InChI | 1.03 | ORJNBGRVTFLPLF-UHFFFAOYSA-N |