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SummaryGeometryRelated PDB entries

0UD

Summary
Name:N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea
Formula:C16 H26 N4 O
Formal charge:0
Formula weight:290.404 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea
OpenEye OEToolkits2.0.71-[2,6-di(propan-2-yl)phenyl]-3-(~{N}-ethylcarbamimidoyl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC
InChIInChI1.03InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21)
InChIKeyInChI1.03ABOWUZLWUNTBAJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
SMILESCACTVS3.385CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C
SMILESOpenEye OEToolkits2.0.7CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C

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건을2024-07-10부터공개중

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