Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C5N(c1c(nc(nc1)n2ccnc2c3ncsc3)N(C4CCCC4)C5CC)C |
InChI | InChI | 1.03 | InChI=1S/C20H23N7OS/c1-3-15-19(28)25(2)16-10-22-20(24-18(16)27(15)13-6-4-5-7-13)26-9-8-21-17(26)14-11-29-12-23-14/h8-13,15H,3-7H2,1-2H3/t15-/m1/s1 |
InChIKey | InChI | 1.03 | HGHXLCCYGNWFLX-OAHLLOKOSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5cscn5 |
SMILES | CACTVS | 3.370 | CC[CH]1N(C2CCCC2)c3nc(ncc3N(C)C1=O)n4ccnc4c5cscn5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C |