Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CSc1ccc(cc1)CNC(=O)C1CCCN(C1)c1ncnc2nn(cc12)c1ccc(C)cc1 |
InChI | InChI | 1.06 | InChI=1S/C26H28N6OS/c1-18-5-9-21(10-6-18)32-16-23-24(30-32)28-17-29-25(23)31-13-3-4-20(15-31)26(33)27-14-19-7-11-22(34-2)12-8-19/h5-12,16-17,20H,3-4,13-15H2,1-2H3,(H,27,33)/t20-/m1/s1 |
InChIKey | InChI | 1.06 | VWUOWUZLQDJSCV-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc(CNC(=O)[C@@H]2CCCN(C2)c3ncnc4nn(cc34)c5ccc(C)cc5)cc1 |
SMILES | CACTVS | 3.385 | CSc1ccc(CNC(=O)[CH]2CCCN(C2)c3ncnc4nn(cc34)c5ccc(C)cc5)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2cc3c(n2)ncnc3N4CCC[C@H](C4)C(=O)NCc5ccc(cc5)SC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)n2cc3c(n2)ncnc3N4CCCC(C4)C(=O)NCc5ccc(cc5)SC |