3-[[2-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine

Systemtic Name: 3-[[2-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Openeye Name: 3-[[2-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine CAS Name: 3-[[2-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]-4H-pyrimidine-2,4-diamine IUPAC Name: 3-[[2-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]-4H-pyrimidine-2,4-diamine Traditional Name: [2-amino-3-[[2-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]-4H-pyrimidin-4-yl]amine Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)COC3=CC=C(C=C3)F)C(=C1)CN4C(C=CN=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)COC3=CC=C(C=C3)F)C(=C1)CN4C(C=CN=C4N)N)OC

InChI

InChI=1S/C22H23FN4O4/c1-28-18-9-13(11-27-19(24)7-8-26-22(27)25)17-10-16(31-20(17)21(18)29-2)12-30-15-5-3-14(23)4-6-15/h3-10,19H,11-12,24H2,1-2H3,(H2,25,26)