Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NN1CCN(C)CC1)Nc2cccc3c2C(=O)c4c(nnc34)c5sc(nc5C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)NC(=O)Nc2cccc3c4n[nH]c(c5sc(C)nc5C)c4C(=O)c23 |
SMILES | CACTVS | 3.341 | CN1CCN(CC1)NC(=O)Nc2cccc3c4n[nH]c(c5sc(C)nc5C)c4C(=O)c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C |
InChI | InChI | 1.03 | InChI=1S/C21H23N7O2S/c1-11-20(31-12(2)22-11)18-16-17(24-25-18)13-5-4-6-14(15(13)19(16)29)23-21(30)26-28-9-7-27(3)8-10-28/h4-6H,7-10H2,1-3H3,(H,24,25)(H2,23,26,30) |
InChIKey | InChI | 1.03 | KRKQVGZXTNLQSV-UHFFFAOYSA-N |