5-[[4-(3-azanyl-4-fluoranyl-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(3-azanyl-4-fluoranyl-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(3-amino-4-fluoro-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(3-amino-4-fluorophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(3-amino-4-fluorophenyl)-3,5-diethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(3-amino-4-fluoro-phenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H24FN5O2 MolecularWeight: 397.445963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)F)N)OCC)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)F)N)OCC)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C21H24FN5O2/c1-3-28-17-8-12(7-14-11-26-21(25)27-20(14)24)9-18(29-4-2)19(17)13-5-6-15(22)16(23)10-13/h5-6,8-11H,3-4,7,23H2,1-2H3,(H4,24,25,26,27)