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

Systemtic Name: 5-[[3,5-diethoxy-4-(3-fluoranyl-4-phenylmethoxy-phenyl)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-benzyloxy-3-fluoro-phenyl)-3,5-diethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3,5-diethoxy-4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3,5-diethoxy-4-(3-fluoro-4-phenylmethoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-benzoxy-3-fluoro-phenyl)-3,5-diethoxy-benzyl]pyrimidin-4-yl]amine Formula: C28H29FN4O3 MolecularWeight: 488.553263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OCC)CC4=CN=C(N=C4N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)F)OCC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C28H29FN4O3/c1-3-34-24-13-19(12-21-16-32-28(31)33-27(21)30)14-25(35-4-2)26(24)20-10-11-23(22(29)15-20)36-17-18-8-6-5-7-9-18/h5-11,13-16H,3-4,12,17H2,1-2H3,(H4,30,31,32,33)