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

Systemtic Name: 5-[(6,7-dimethoxy-2-phenyl-1-benzofuran-4-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(6,7-dimethoxy-2-phenyl-benzofuran-4-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(6,7-dimethoxy-2-phenyl-4-benzofuranyl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(6,7-dimethoxy-2-phenyl-1-benzofuran-4-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(6,7-dimethoxy-2-phenyl-benzofuran-4-yl)methyl]pyrimidin-4-yl]amine Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)C3=CC=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)C3=CC=CC=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

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