Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCCCC1)C(NC(=O)c3c2nc(cnc2nc3)C4CC4)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | STEKXUJMQOKLQV-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(=O)N4CCCCC4 |
SMILES | CACTVS | 3.370 | C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(=O)N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4 |