Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N1)c1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C18H14ClN5O/c19-13-6-8-14(9-7-13)20-11-15-10-16(25)24-18(21-15)22-17(23-24)12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22,23) |
InChIKey | InChI | 1.06 | WFVVVUVTAKJMMN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(NCC2=CC(=O)n3nc(nc3N2)c4ccccc4)cc1 |
SMILES | CACTVS | 3.385 | Clc1ccc(NCC2=CC(=O)n3nc(nc3N2)c4ccccc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CNc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CNc4ccc(cc4)Cl |