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77A

Summary
Name:1-(5-CHLORO-2-METHOXYPHENYL)-3-{6-[2-(DIMETHYLAMINO)-1-METHYLETHOXY]PYRAZIN-2-YL}UREA
Formula:C17 H22 Cl N5 O3
Formal charge:0
Formula weight:379.841 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(5-chloro-2-methoxyphenyl)-3-{6-[(1S)-2-(dimethylamino)-1-methylethoxy]pyrazin-2-yl}urea
OpenEye OEToolkits1.5.01-(5-chloro-2-methoxy-phenyl)-3-[6-[(2S)-1-dimethylaminopropan-2-yl]oxypyrazin-2-yl]urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(c(OC)cc1)NC(=O)Nc2nc(OC(CN(C)C)C)cnc2
SMILES_CANONICALCACTVS3.341COc1ccc(Cl)cc1NC(=O)Nc2cncc(O[C@@H](C)CN(C)C)n2
SMILESCACTVS3.341COc1ccc(Cl)cc1NC(=O)Nc2cncc(O[CH](C)CN(C)C)n2
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl
SMILESOpenEye OEToolkits1.5.0CC(CN(C)C)Oc1cncc(n1)NC(=O)Nc2cc(ccc2OC)Cl
InChIInChI1.03InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)/t11-/m0/s1
InChIKeyInChI1.03GIAYFZLMPSVQDV-NSHDSACASA-N

222415

數據於2024-07-10公開中

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