Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2c1c(nc(nc1nc2CC)Sc3cc4nccnc4nc3)N5CCC(N)C5 |
InChI | InChI | 1.03 | InChI=1S/C19H19ClN8S/c1-2-12-15(20)14-17(25-12)26-19(27-18(14)28-6-3-10(21)9-28)29-11-7-13-16(24-8-11)23-5-4-22-13/h4-5,7-8,10H,2-3,6,9,21H2,1H3,(H,25,26,27)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | WXCUMDKJRMUULE-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N5CC[C@@H](N)C5)c2c1Cl |
SMILES | CACTVS | 3.370 | CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N5CC[CH](N)C5)c2c1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCc1c(c2c([nH]1)nc(nc2N3CCC(C3)N)Sc4cc5c(nccn5)nc4)Cl |