Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(cc(Cl)c1)OCc1ncsc1C |
InChI | InChI | 1.03 | InChI=1S/C25H18ClN5O4S/c1-14-22(29-13-36-14)12-35-19-6-15(5-17(26)8-19)20-7-16(21-10-28-25(34)30-23(21)32)11-31(24(20)33)18-3-2-4-27-9-18/h2-11,13H,12H2,1H3,(H2,28,30,32,34) |
InChIKey | InChI | 1.03 | RJHJFSODWKKAIP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1scnc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |
SMILES | CACTVS | 3.385 | Cc1scnc1COc2cc(Cl)cc(c2)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ncs1)COc2cc(cc(c2)Cl)C3=CC(=CN(C3=O)c4cccnc4)C5=CNC(=O)NC5=O |