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SummaryGeometryRelated PDB entries

AM0

Summary
Name:N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
Formula:C25 H23 N7 O3
Formal charge:0
Formula weight:469.495 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
OpenEye OEToolkits1.5.0N-phenyl-1-[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]benzimidazol-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1cc(cc(OC)c1OC)Nc2ncnc(n2)n3c5ccccc5nc3Nc4ccccc4)C
SMILES_CANONICALCACTVS3.341COc1cc(Nc2ncnc(n2)n3c(Nc4ccccc4)nc5ccccc35)cc(OC)c1OC
SMILESCACTVS3.341COc1cc(Nc2ncnc(n2)n3c(Nc4ccccc4)nc5ccccc35)cc(OC)c1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5
SMILESOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5
InChIInChI1.03InChI=1S/C25H23N7O3/c1-33-20-13-17(14-21(34-2)22(20)35-3)28-23-26-15-27-24(31-23)32-19-12-8-7-11-18(19)30-25(32)29-16-9-5-4-6-10-16/h4-15H,1-3H3,(H,29,30)(H,26,27,28,31)
InChIKeyInChI1.03OYDJAYPDIUTXRU-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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