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K6I

Summary
Name:~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide
Formula:C19 H20 F N5 O2 S
Formal charge:0
Formula weight:401.458 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H20FN5O2S/c1-12(2)7-10-25-18(27)16-17(22-9-8-21-16)24-19(25)28-11-15(26)23-14-6-4-3-5-13(14)20/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,23,26)
InChIKeyInChI1.06SNKVFQSPLUKPPE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F
SMILESCACTVS3.385CC(C)CCN1C(=O)c2nccnc2N=C1SCC(=O)Nc3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)CCN1C(=O)c2c(nccn2)N=C1SCC(=O)Nc3ccccc3F
SMILESOpenEye OEToolkits2.0.7CC(C)CCN1C(=O)c2c(nccn2)N=C1SCC(=O)Nc3ccccc3F

222415

數據於2024-07-10公開中

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