Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2cnc(Nc1ccc(Cl)cc1)c5c2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C |
InChI | InChI | 1.03 | InChI=1S/C25H20ClN7/c1-3-33-25-22(23(27)29-14-30-25)21(32-33)11-10-18-15(2)4-9-20-19(18)12-13-28-24(20)31-17-7-5-16(26)6-8-17/h4-9,12-14H,3H2,1-2H3,(H,28,31)(H2,27,29,30) |
InChIKey | InChI | 1.03 | AZFFXPMHTGBCGM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c5c(N)ncnc15 |
SMILES | CACTVS | 3.385 | CCn1nc(C#Cc2c(C)ccc3c(Nc4ccc(Cl)cc4)nccc23)c5c(N)ncnc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(n1)C#Cc3c(ccc4c3ccnc4Nc5ccc(cc5)Cl)C)c(ncn2)N |