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KK1

Summary
Name:6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine
Formula:C19 H28 N4 O
Formal charge:0
Formula weight:328.452 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine
OpenEye OEToolkits1.7.66-(4-methoxyphenyl)-N4-octyl-pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c(c1ccc(OC)cc1)cc(nc2N)NCCCCCCCC
InChIInChI1.03InChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23)
InChIKeyInChI1.03HPTZTRACBOHBMX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2
SMILESCACTVS3.385CCCCCCCCNc1cc(nc(N)n1)c2ccc(OC)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCNc1cc(nc(n1)N)c2ccc(cc2)OC

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PDB entries from 2024-05-08

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