Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NCC(=Nc2c(nn(c12)CCO)C(C)(C)CC)c4ccc(n3ccnc3C)cc4 |
InChI | InChI | 1.03 | InChI=1S/C23H28N6O2/c1-5-23(3,4)21-19-20(29(27-21)12-13-30)22(31)25-14-18(26-19)16-6-8-17(9-7-16)28-11-10-24-15(28)2/h6-11,30H,5,12-14H2,1-4H3,(H,25,31) |
InChIKey | InChI | 1.03 | FSYSOQAXVZSDSJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(C)(C)c1nn(CCO)c2C(=O)NCC(=Nc12)c3ccc(cc3)n4ccnc4C |
SMILES | CACTVS | 3.370 | CCC(C)(C)c1nn(CCO)c2C(=O)NCC(=Nc12)c3ccc(cc3)n4ccnc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C |