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

Systemtic Name: 5-[[2-(imidazol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(imidazol-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(1-imidazolylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(imidazol-1-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(imidazol-1-ylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CN3C=CN=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CN3C=CN=C3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C19H20N6O3/c1-26-15-6-11(5-12-8-23-19(21)24-18(12)20)14-7-13(9-25-4-3-22-10-25)28-16(14)17(15)27-2/h3-4,6-8,10H,5,9H2,1-2H3,(H4,20,21,23,24)