Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#C\C=C\c1cc(c(c(c1)C)Nc2nc(c3c(n2)ncn3)Nc4ccc(OC)cc4)C |
InChI | InChI | 1.03 | InChI=1S/C23H21N7O/c1-14-11-16(5-4-10-24)12-15(2)19(14)28-23-29-21-20(25-13-26-21)22(30-23)27-17-6-8-18(31-3)9-7-17/h4-9,11-13H,1-3H3,(H3,25,26,27,28,29,30)/b5-4+ |
InChIKey | InChI | 1.03 | IDEUQSZAIWGGSN-SNAWJCMRSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Nc2nc(Nc3c(C)cc(\C=C\C#N)cc3C)nc4nc[nH]c24)cc1 |
SMILES | CACTVS | 3.370 | COc1ccc(Nc2nc(Nc3c(C)cc(C=CC#N)cc3C)nc4nc[nH]c24)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)C=CC#N |