Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC=Nc1scc(c12)C(=O)NCc3ccc(cc3)CNCc4nccn4 |
InChI | InChI | 1.03 | InChI=1S/C19H18N6O2S/c26-17(14-10-28-19-16(14)18(27)24-11-25-19)23-8-13-3-1-12(2-4-13)7-20-9-15-21-5-6-22-15/h1-6,10-11,20H,7-9H2,(H,21,22)(H,23,26)(H,24,25,27) |
InChIKey | InChI | 1.03 | RLANZYKQCHLLJS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc(CNCc2[nH]ccn2)cc1)c3csc4N=CNC(=O)c34 |
SMILES | CACTVS | 3.385 | O=C(NCc1ccc(CNCc2[nH]ccn2)cc1)c3csc4N=CNC(=O)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4 |