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X62

Summary
Name:4-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
Formula:C12 H9 Cl2 N5 O3
Formal charge:0
Formula weight:342.138 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-chloro-2-{[(2-chloropyrimidin-5-yl)methyl]amino}-5-nitrobenzamide
OpenEye OEToolkits1.7.04-chloro-2-[(2-chloropyrimidin-5-yl)methylamino]-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ncc(cn1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(c(Cl)cc1NCc2cnc(Cl)nc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N
SMILESOpenEye OEToolkits1.7.0c1c(c(cc(c1[N+](=O)[O-])Cl)NCc2cnc(nc2)Cl)C(=O)N
InChIInChI1.03InChI=1S/C12H9Cl2N5O3/c13-8-2-9(7(11(15)20)1-10(8)19(21)22)16-3-6-4-17-12(14)18-5-6/h1-2,4-5,16H,3H2,(H2,15,20)
InChIKeyInChI1.03FZWJCGAXJODLPL-UHFFFAOYSA-N

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건을2024-09-11부터공개중

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