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

Systemtic Name: 5-[[3-(1-benzofuran-2-yl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[3-(benzofuran-2-yl)-4,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[3-(2-benzofuranyl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[3-(1-benzofuran-2-yl)-4,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-(benzofuran-2-yl)-4,5-dimethoxy-benzyl]pyrimidin-4-yl]amine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CC2=CN=C(N=C2N)N)C3=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C21H20N4O3/c1-26-18-9-12(7-14-11-24-21(23)25-20(14)22)8-15(19(18)27-2)17-10-13-5-3-4-6-16(13)28-17/h3-6,8-11H,7H2,1-2H3,(H4,22,23,24,25)