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

Systemtic Name: 5-[[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(6,7-dimethoxy-2-veratryl-benzofuran-4-yl)methyl]pyrimidin-4-yl]amine Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O5/c1-29-18-6-5-13(8-19(18)30-2)7-16-11-17-14(9-15-12-27-24(26)28-23(15)25)10-20(31-3)22(32-4)21(17)33-16/h5-6,8,10-12H,7,9H2,1-4H3,(H4,25,26,27,28)