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Q1A

Summary
Name:1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
Formula:C23 H23 N5 O2
Formal charge:0
Formula weight:401.461 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits1.7.61-[4-(1-azanylisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1noc(c1)C(C)(C)C)Nc4ccc(c3c2ccnc(N)c2ccc3)cc4
InChIInChI1.03InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29)
InChIKeyInChI1.03SLRYMOUSQMDJPH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cccc4c(N)nccc34)c1
SMILESCACTVS3.385CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cccc4c(N)nccc34)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N
SMILESOpenEye OEToolkits1.7.6CC(C)(C)c1cc(no1)NC(=O)Nc2ccc(cc2)c3cccc4c3ccnc4N

222624

數據於2024-07-17公開中

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