5-[[4-(4-aminophenyl)-3-ethoxy-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[4-(4-aminophenyl)-3-ethoxy-5-phenylmethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[4-(4-aminophenyl)-3-benzyloxy-5-ethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[4-(4-aminophenyl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[4-(4-aminophenyl)-3-ethoxy-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-(4-aminophenyl)-3-benzoxy-5-ethoxy-benzyl]pyrimidin-4-yl]amine Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2/c1-2-32-22-13-18(12-20-15-30-26(29)31-25(20)28)14-23(33-16-17-6-4-3-5-7-17)24(22)19-8-10-21(27)11-9-19/h3-11,13-15H,2,12,16,27H2,1H3,(H4,28,29,30,31)