Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2cc1cc(OC)ccc1n2)Nc3ccc(\C(=N\NC(=[N@H])N)CCC)cc3 |
SMILES_CANONICAL | CACTVS | 3.370 | CCCC(=N\NC(N)=N)/c1ccc(NC(=O)c2[nH]c3ccc(OC)cc3c2)cc1 |
SMILES | CACTVS | 3.370 | CCCC(=NNC(N)=N)c1ccc(NC(=O)c2[nH]c3ccc(OC)cc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC/C(=N\NC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC |
InChI | InChI | 1.03 | InChI=1S/C21H24N6O2/c1-3-4-18(26-27-21(22)23)13-5-7-15(8-6-13)24-20(28)19-12-14-11-16(29-2)9-10-17(14)25-19/h5-12,25H,3-4H2,1-2H3,(H,24,28)(H4,22,23,27)/b26-18+ |
InChIKey | InChI | 1.03 | IFLKHYHIUCIDRM-NLRVBDNBSA-N |