Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c2scc(c2N=C(N1CC)NC(C)C)c3cccnc3 |
InChI | InChI | 1.03 | InChI=1S/C16H18N4OS/c1-4-20-15(21)14-13(19-16(20)18-10(2)3)12(9-22-14)11-6-5-7-17-8-11/h5-10H,4H2,1-3H3,(H,18,19) |
InChIKey | InChI | 1.03 | TZXUAKHZPAHOMA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)c2scc(c3cccnc3)c2N=C1NC(C)C |
SMILES | CACTVS | 3.385 | CCN1C(=O)c2scc(c3cccnc3)c2N=C1NC(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C |