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

Systemtic Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenoxy)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenoxy)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[6,7-dimethoxy-2-[(4-methoxyphenoxy)methyl]benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

InChI

InChI=1S/C23H24N4O5/c1-28-15-4-6-16(7-5-15)31-12-17-10-18-13(8-14-11-26-23(25)27-22(14)24)9-19(29-2)21(30-3)20(18)32-17/h4-7,9-11H,8,12H2,1-3H3,(H4,24,25,26,27)