Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3c(\N=C)c1nc(cc2C(=O)N(c(c12)c3N)C)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C13H10ClN5O2/c1-17-10-7(14)8(15)11-6-4(13(21)19(11)2)3-5(12(16)20)18-9(6)10/h3H,1,15H2,2H3,(H2,16,20) |
InChIKey | InChI | 1.03 | IRLASAQBVTZKMT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=O)c2cc(nc3c(N=C)c(Cl)c(N)c1c23)C(N)=O |
SMILES | CACTVS | 3.370 | CN1C(=O)c2cc(nc3c(N=C)c(Cl)c(N)c1c23)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O |