Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1c2c(CCN1C(CO)=O)nc3c2c(cc(c3Cl)Cl)c4cnnc4 |
InChI | InChI | 1.03 | InChI=1S/C16H14Cl2N4O2/c17-11-3-9(8-4-19-20-5-8)14-10-6-22(13(24)7-23)2-1-12(10)21-16(14)15(11)18/h3-5,21,23H,1-2,6-7H2,(H,19,20) |
InChIKey | InChI | 1.03 | UUDFSTGSYHGEEV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(c4c[nH]nc4)c3c2C1 |
SMILES | CACTVS | 3.385 | OCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(c4c[nH]nc4)c3c2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4 |