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

Systemtic Name: 5-[[2-(furan-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(2-furylmethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(2-furanylmethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(furan-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(2-furfuryl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CC3=CC=CO3)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CC3=CC=CO3)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C20H20N4O4/c1-25-16-7-11(6-12-10-23-20(22)24-19(12)21)15-9-14(8-13-4-3-5-27-13)28-17(15)18(16)26-2/h3-5,7,9-10H,6,8H2,1-2H3,(H4,21,22,23,24)