Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N)c4cnc(NC1CCCCC1)c5c3c(cc(c2cn(nc2)C)cc3)nc45 |
InChI | InChI | 1.03 | InChI=1S/C22H24N6O/c1-28-12-14(10-25-28)13-7-8-16-18(9-13)27-20-17(21(23)29)11-24-22(19(16)20)26-15-5-3-2-4-6-15/h7-12,15,27H,2-6H2,1H3,(H2,23,29)(H,24,26) |
InChIKey | InChI | 1.03 | NSYNFVRSQTTZAL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cn1cc(cn1)c2ccc3c([nH]c4c(cnc(NC5CCCCC5)c34)C(N)=O)c2 |
SMILES | CACTVS | 3.370 | Cn1cc(cn1)c2ccc3c([nH]c4c(cnc(NC5CCCCC5)c34)C(N)=O)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5 |
SMILES | OpenEye OEToolkits | 1.7.2 | Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5 |