5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-(2-phenyl-1,3-benzodioxol-2-yl)benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C28H24N4O5 MolecularWeight: 496.51396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C3(OC4=CC=CC=C4O3)C5=CC=CC=C5)C(=C1)CC6=CN=C(N=C6N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C3(OC4=CC=CC=C4O3)C5=CC=CC=C5)C(=C1)CC6=CN=C(N=C6N)N)OC

InChI

InChI=1S/C28H24N4O5/c1-33-22-13-16(12-17-15-31-27(30)32-26(17)29)19-14-23(35-24(19)25(22)34-2)28(18-8-4-3-5-9-18)36-20-10-6-7-11-21(20)37-28/h3-11,13-15H,12H2,1-2H3,(H4,29,30,31,32)