DQ3

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Summary

Name:5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
Formula:C19 H19 Cl N4 O
Formal charge:0
Molecular weight:354.833 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24)
InChIKeyInChI1.03XMRJZVVWOPBOKP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3
SMILESCACTVS3.385Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl