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KDT

Summary
Name:N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE
Formula:C18 H17 Br N4 O4 S
Formal charge:0
Formula weight:465.321 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6N-[6-azanyl-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H17BrN4O4S/c1-22(28(26,27)14-5-3-2-4-6-14)15-16(20)23(18(25)21-17(15)24)11-12-7-9-13(19)10-8-12/h2-10H,11,20H2,1H3,(H,21,24,25)
InChIKeyInChI1.03RDCMEUYEJBCNFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C1=C(N)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
SMILESCACTVS3.385CN(C1=C(N)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3
SMILESOpenEye OEToolkits1.7.6CN(C1=C(N(C(=O)NC1=O)Cc2ccc(cc2)Br)N)S(=O)(=O)c3ccccc3

224931

数据于2024-09-11公开中

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