5-[[6,7-dimethoxy-2-(4-phenylphenyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[6,7-dimethoxy-2-(4-phenylphenyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-(4-phenylphenyl)benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(4-phenylphenyl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-(4-phenylphenyl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(4-phenylphenyl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=C1)CC5=CN=C(N=C5N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4)C(=C1)CC5=CN=C(N=C5N)N)OC

InChI

InChI=1S/C27H24N4O3/c1-32-23-13-19(12-20-15-30-27(29)31-26(20)28)21-14-22(34-24(21)25(23)33-2)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H4,28,29,30,31)