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

Systemtic Name: 5-[[2-(chloromethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(chloromethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(chloromethyl)-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(chloromethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(chloromethyl)-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C16H17ClN4O3 MolecularWeight: 348.78418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CCl)C(=C1)CC3=CN=C(N=C3N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CCl)C(=C1)CC3=CN=C(N=C3N)N)OC

InChI

InChI=1S/C16H17ClN4O3/c1-22-12-4-8(3-9-7-20-16(19)21-15(9)18)11-5-10(6-17)24-13(11)14(12)23-2/h4-5,7H,3,6H2,1-2H3,(H4,18,19,20,21)