Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1C(=Cc2nc(sc2N1CCC(C)C)NC(=O)NC/C=C)c3cccnc3 |
InChI | InChI | 1.03 | InChI=1S/C20H23N5O2S/c1-4-8-22-19(27)24-20-23-16-11-15(14-6-5-9-21-12-14)17(26)25(18(16)28-20)10-7-13(2)3/h4-6,9,11-13H,1,7-8,10H2,2-3H3,(H2,22,23,24,27) |
InChIKey | InChI | 1.03 | HDSYKPYXRVXIRI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCN1C(=O)C(=Cc2nc(NC(=O)NCC=C)sc12)c3cccnc3 |
SMILES | CACTVS | 3.385 | CC(C)CCN1C(=O)C(=Cc2nc(NC(=O)NCC=C)sc12)c3cccnc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3 |