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SYI

Summary
Name:6-[diethylcarbamoyl(methyl)amino]-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide
Formula:C15 H19 F3 N8 O2
Formal charge:0
Formula weight:400.359 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-[diethylcarbamoyl(methyl)amino]-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C15H19F3N8O2/c1-5-26(6-2)14(28)24(3)10-8-7-9(11(19-10)15(16,17)18)12(27)20-13-21-22-23-25(13)4/h7-8H,5-6H2,1-4H3,(H,20,21,23,27)
InChIKeyInChI1.06ZOROPVFDDKADSY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)C(=O)N(C)c1ccc(C(=O)Nc2nnnn2C)c(n1)C(F)(F)F
SMILESCACTVS3.385CCN(CC)C(=O)N(C)c1ccc(C(=O)Nc2nnnn2C)c(n1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)C(=O)N(C)c1ccc(c(n1)C(F)(F)F)C(=O)Nc2nnnn2C
SMILESOpenEye OEToolkits2.0.7CCN(CC)C(=O)N(C)c1ccc(c(n1)C(F)(F)F)C(=O)Nc2nnnn2C

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PDB entries from 2024-10-09

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