Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc2c(cc1)ncc2C(=O)\C=C(/O)c3nnnn3 |
InChI | InChI | 1.03 | InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-5,14,20H,(H,15,16,17,18)/b11-4- |
InChIKey | InChI | 1.03 | LKVXXMOMTRBUQI-WCIBSUBMSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=C\C(=O)c1c[nH]c2ccc(Cl)cc12)/c3n[nH]nn3 |
SMILES | CACTVS | 3.385 | OC(=CC(=O)c1c[nH]c2ccc(Cl)cc12)c3n[nH]nn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)\O |
SMILES | OpenEye OEToolkits | 1.7.5 | c1cc2c(cc1Cl)c(c[nH]2)C(=O)C=C(c3n[nH]nn3)O |