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

Systemtic Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(6,7-dimethoxy-2-p-anisyl-benzofuran-4-yl)methyl]pyrimidin-4-yl]amine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CC3=C(O2)C(=C(C=C3CC4=CN=C(N=C4N)N)OC)OC

InChI

InChI=1S/C23H24N4O4/c1-28-16-6-4-13(5-7-16)8-17-11-18-14(9-15-12-26-23(25)27-22(15)24)10-19(29-2)21(30-3)20(18)31-17/h4-7,10-12H,8-9H2,1-3H3,(H4,24,25,26,27)