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KTZ

Summary
Name:N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Formula:C20 H19 N5
Formal charge:0
Formula weight:329.398 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~4~,N~4~-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits1.9.2N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c3c(c(nc1N)N(C)C)c(c(c2ccccc2)n3)c4ccccc4
InChIInChI1.03InChI=1S/C20H19N5/c1-25(2)19-16-15(13-9-5-3-6-10-13)17(14-11-7-4-8-12-14)22-18(16)23-20(21)24-19/h3-12H,1-2H3,(H3,21,22,23,24)
InChIKeyInChI1.03DDOAMBAFKLSUFY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12
SMILESCACTVS3.385CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4ccccc4)c12
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.9.2CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4

248335

PDB entries from 2026-01-28

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