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

Systemtic Name: 5-[[2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-[[(4-fluorophenyl)thio]methyl]-6,7-dimethoxy-4-benzofuranyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-[(4-fluorophenyl)sulfanylmethyl]-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-[[(4-fluorophenyl)thio]methyl]-6,7-dimethoxy-benzofuran-4-yl]methyl]pyrimidin-4-yl]amine Formula: C22H21FN4O3S MolecularWeight: 440.490543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C(O2)CSC3=CC=C(C=C3)F)C(=C1)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=C(C2=C(C=C(O2)CSC3=CC=C(C=C3)F)C(=C1)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C22H21FN4O3S/c1-28-18-8-12(7-13-10-26-22(25)27-21(13)24)17-9-15(30-19(17)20(18)29-2)11-31-16-5-3-14(23)4-6-16/h3-6,8-10H,7,11H2,1-2H3,(H4,24,25,26,27)