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JWT

Summary
Name:N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide
Formula:C18 H17 F N4 O4 S
Formal charge:0
Formula weight:404.415 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide
OpenEye OEToolkits1.9.2N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-4-fluoranyl-N-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)S(=O)(=O)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C
InChIInChI1.03InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-9-7-13(19)8-10-14)15-16(20)23(18(25)21-17(15)24)11-12-5-3-2-4-6-12/h2-10H,11,20H2,1H3,(H,21,24,25)
InChIKeyInChI1.03NBJLHGBRFRTIKT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccc(F)cc3
SMILESCACTVS3.385CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F
SMILESOpenEye OEToolkits1.9.2CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F

223532

数据于2024-08-07公开中

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