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WLL

Summary
Name:N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
Formula:C15 H13 N3 O3 S
Formal charge:0
Formula weight:315.347 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide
OpenEye OEToolkits1.7.6N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C2=Nc1sccc1C(=O)N2)NCc3cccc(OC)c3
InChIInChI1.03InChI=1S/C15H13N3O3S/c1-21-10-4-2-3-9(7-10)8-16-14(20)12-17-13(19)11-5-6-22-15(11)18-12/h2-7H,8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyInChI1.03JBLVGKQIAQNLEM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370COc1cccc(CNC(=O)C2=Nc3sccc3C(=O)N2)c1
SMILESCACTVS3.370COc1cccc(CNC(=O)C2=Nc3sccc3C(=O)N2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2
SMILESOpenEye OEToolkits1.7.6COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2

226262

数据于2024-10-16公开中

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