About 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole
5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole (PubChem CID 159377111) has the molecular formula C270H71F55N130O6
and a molecular weight of 6276.33 g/mol. Its IUPAC name is 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole.
Frequently Asked Questions
What is the IUPAC name of 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole (CID 159377111) is 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole is Fc1c(F)c(F)c(-c2nc(-c3nc4ccccc4o3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.Fc1cc2nc(-c3nc(-c4c(F)c(F)c(C(F)(F)F)c(F)c4F)nc(-c4c(F)c(F)c(C(F)(F)F)c(F)c4F)n3)oc2cc1F.Fc1cc2nc(-c3nc(-c4c(F)c(F)c(F)c(F)c4F)nc(-c4c(F)c(F)c(F)c(F)c4F)n3)oc2cc1F.[C-]#[N+]/C(=C1\N=c2cnc(C#N)nc2=N1)c1nc(/C(C#N)=C2/N=c3cnc(C#N)nc3=N2)nc(/C(C#N)=C2/N=c3cnc([N+]#[C-])nc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cnc(C(F)(F)F)nc2=N1)c1nc(/C(C#N)=C2/N=c3cnc(C)nc3=N2)nc(/C(C#N)=C2/N=c3cnc(C(F)(F)F)nc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cnc(C)nc2=N1)c1nc(/C(C#N)=C2/N=c3cnc(C)nc3=N2)nc(/C(C#N)=C2/N=c3cnc(C)nc3=N2)n1.[C-]#[N+]/C(=C1\N=c2cnc(F)nc2=N1)c1nc(/C(C#N)=C2/N=c3cnc(F)nc3=N2)nc(/C(C#N)=C2/N=c3cnc(F)nc3=N2)n1.[C-]#[N+]C(=C1N=c2nc(C)c(C)nc2=N1)c1nc(C(C#N)=C2N=c3nc(C)c(C)nc3=N2)nc(C(C#N)=C2N=c3nc(C)c(C)nc3=N2)n1.[C-]#[N+]c1cc(C#N)cc(-c2nc(-c3cnc(C#N)nc3)nc(-c3nc4ccccc4o3)n2)c1.[C-]#[N+]c1nc2nc(-c3nc(-c4c(F)c(F)c(C#N)c(F)c4F)nc(-c4c(F)c(F)c(C#N)c(F)c4F)n3)oc2nc1[N+]#[C-].c1ccc(-c2nc(-c3cncnc3)nc(-c3nc4ccccc4o3)n2)cc1.
What is the InChIKey of 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
The InChIKey is LKLOGKDKFDLHIW-XXVXCWTASA-N. The full InChI is InChI=1S/C30H18N18.C27H6F6N18.C27H3N21.C27H12N18.C24H2F16N4O.C24F8N10O.C24H3F3N18.C23H9N9O.C22H2F12N4O.C22H4F10N4O.C20H12N6O/c1-10-11(2)35-26-25(34-10)43-21(44-26)16(8-31)19-40-20(17(9-32)22-45-27-28(46-22)37-13(4)12(3)36-27)42-23(41-19)18(33-7)24-47-29-30(48-24)39-15(6)14(5)38-29;1-8-37-5-11-19(40-8)45-15(41-11)9(3-34)17-44-18(10(4-35)16-42-12-6-38-24(26(28,29)30)50-20(12)46-16)48-23(47-17)14(36-2)22-43-13-7-39-25(27(31,32)33)51-21(13)49-22;1-32-17(25-39-13-8-35-16(6-31)41-23(13)47-25)26-45-20(10(3-28)18-37-12-7-34-15(5-30)40-22(12)43-18)42-21(46-26)11(4-29)19-38-14-9-36-27(33-2)48-24(14)44-19;1-10-31-7-15-23(34-10)41-19(37-15)13(5-28)21-40-22(14(6-29)20-38-16-8-32-11(2)35-24(16)42-20)44-27(43-21)18(30-4)26-39-17-9-33-12(3)36-25(17)45-26;25-3-1-5-6(2-4(3)26)45-22(41-5)21-43-19(7-11(27)15(31)9(23(35,36)37)16(32)12(7)28)42-20(44-21)8-13(29)17(33)10(24(38,39)40)18(34)14(8)30;1-35-19-20(36-2)41-24-22(40-19)42-23(43-24)21-38-17(7-13(29)9(25)5(3-33)10(26)14(7)30)37-18(39-21)8-15(31)11(27)6(4-34)12(28)16(8)32;1-30-12(20-36-11-6-33-24(27)45-19(11)42-20)21-40-15(7(2-28)13-34-9-4-31-22(25)43-17(9)38-13)37-16(41-21)8(3-29)14-35-10-5-32-23(26)44-18(10)39-14;1-26-16-7-13(9-24)6-14(8-16)20-30-21(15-11-27-19(10-25)28-12-15)32-22(31-20)23-29-17-4-2-3-5-18(17)33-23;23-3-1-5-6(2-4(3)24)39-22(35-5)21-37-19(7-9(25)13(29)17(33)14(30)10(7)26)36-20(38-21)8-11(27)15(31)18(34)16(32)12(8)28;23-9-7(10(24)14(28)17(31)13(9)27)19-34-20(8-11(25)15(29)18(32)16(30)12(8)26)36-21(35-19)22-33-5-3-1-2-4-6(5)37-22;1-2-6-13(7-3-1)17-24-18(14-10-21-12-22-11-14)26-19(25-17)20-23-15-8-4-5-9-16(15)27-20/h1-6H3;5-7H,1H3;7-9H;7-9H,1-3H3;1-2H;;4-6H;2-8,11-12H;1-2H;1-4H;1-12H/b;15-9-,16-10-,22-14+;18-10-,19-11-,25-17+;19-13-,20-14-,26-18+;;;13-7-,14-8-,20-12+;;;;.
What are the key properties of 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole?
5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole has a molecular weight of 6276.33 g/mol, XLogP of 26.18, 33 rotatable bonds, 0 hydrogen bond donors, and 127 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-benzoxazol-2-yl)-6-(3-cyano-5-isocyanophenyl)-1,3,5-triazin-2-yl]pyrimidine-2-carbonitrile;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-1,3-benzoxazole;2-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;2-[4,6-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5,6-difluoro-1,3-benzoxazole;(8Z)-8-[cyano-[4-[(Z)-cyano-(2-isocyanopurin-8-ylidene)methyl]-6-[(E)-(2-cyanopurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]methylidene]purine-2-carbonitrile;2-[4-[cyano-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)methyl]-6-[(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(5,6-dimethylimidazo[4,5-b]pyrazin-2-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-fluoropurin-8-ylidene)methyl]-6-[(E)-(2-fluoropurin-8-ylidene)-isocyanomethyl]-1,3,5-triazin-2-yl]-2-(2-fluoropurin-8-ylidene)acetonitrile;(2Z)-2-[4-[(Z)-cyano-(2-methylpurin-8-ylidene)methyl]-6-[(E)-isocyano-(2-methylpurin-8-ylidene)methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;4-[4-(4-cyano-2,3,5,6-tetrafluorophenyl)-6-(5,6-diisocyano-[1,3]oxazolo[4,5-b]pyrazin-2-yl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorobenzonitrile;(2Z)-2-[4-[(Z)-cyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-6-[(E)-isocyano-[2-(trifluoromethyl)purin-8-ylidene]methyl]-1,3,5-triazin-2-yl]-2-(2-methylpurin-8-ylidene)acetonitrile;2-(4-phenyl-6-pyrimidin-5-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 159377111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).