Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC=Nc1scc(c12)C(=O)NCc3ccc(cc3)CN |
InChI | InChI | 1.03 | InChI=1S/C15H14N4O2S/c16-5-9-1-3-10(4-2-9)6-17-13(20)11-7-22-15-12(11)14(21)18-8-19-15/h1-4,7-8H,5-6,16H2,(H,17,20)(H,18,19,21) |
InChIKey | InChI | 1.03 | ZOJIHHOGTNVURO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1 |
SMILES | CACTVS | 3.385 | NCc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3 |